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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (374)
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Pyrazoles (193)
Isoxazoles (85)
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1 – 15 of 527 results
1

Thermo Scientific Chemicals Thiazolyl Blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 64965
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
MDL Number MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
IUPAC Name 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2

2-Aminobenzimidazole, 97+%

CAS: 934-32-7 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005596 InChI Key: JWYUFVNJZUSCSM-UHFFFAOYSA-N Synonym: 2-aminobenzimidazole,1h-benzo d imidazol-2-amine,2-iminobenzimidazoline,benzimidazole, 2-amino,benzimidazol-2-ylamine,2-amino benzimidazole,caswell no. 033aa,1h-1,3-benzodiazol-2-amine,usaf ek-4037,2-amino-1h-benzimidazole PubChem CID: 13624 ChEBI: CHEBI:27822 IUPAC Name: 1H-benzimidazol-2-amine SMILES: NC1=NC2=CC=CC=C2N1

EDGE
PubChem CID 13624
CAS 934-32-7
Molecular Weight (g/mol) 133.15
ChEBI CHEBI:27822
MDL Number MFCD00005596
SMILES NC1=NC2=CC=CC=C2N1
Synonym 2-aminobenzimidazole,1h-benzo d imidazol-2-amine,2-iminobenzimidazoline,benzimidazole, 2-amino,benzimidazol-2-ylamine,2-amino benzimidazole,caswell no. 033aa,1h-1,3-benzodiazol-2-amine,usaf ek-4037,2-amino-1h-benzimidazole
IUPAC Name 1H-benzimidazol-2-amine
InChI Key JWYUFVNJZUSCSM-UHFFFAOYSA-N
Molecular Formula C7H7N3
3

1-n-Butyl-3-methylimidazolium bromide, 99%

CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]

EDGE
PubChem CID 2734236
CAS 85100-77-2
Molecular Weight (g/mol) 219.126
MDL Number MFCD03427611
SMILES CCCCN1C=C[N+](=C1)C.[Br-]
Synonym 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide
IUPAC Name 1-butyl-3-methylimidazol-3-ium;bromide
InChI Key KYCQOKLOSUBEJK-UHFFFAOYSA-M
Molecular Formula C8H15BrN2
4

1,2,4-Triazole, 99%

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

EDGE
PubChem CID 9257
CAS 288-88-0
Molecular Weight (g/mol) 69.067
ChEBI CHEBI:35550
MDL Number MFCD00005228
SMILES C1=NC=NN1
Synonym 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
IUPAC Name 1H-1,2,4-triazole
InChI Key NSPMIYGKQJPBQR-UHFFFAOYSA-N
Molecular Formula C2H3N3
5

2-Phenylbenzoxazole, 99%

CAS: 833-50-1 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 MDL Number: MFCD00012183 InChI Key: FIISKTXZUZBTRC-UHFFFAOYSA-N Synonym: 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole PubChem CID: 70030 IUPAC Name: 2-phenyl-1,3-benzoxazole SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

PubChem CID 70030
CAS 833-50-1
Molecular Weight (g/mol) 195.221
MDL Number MFCD00012183
SMILES C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
Synonym 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole
IUPAC Name 2-phenyl-1,3-benzoxazole
InChI Key FIISKTXZUZBTRC-UHFFFAOYSA-N
Molecular Formula C13H9NO
6

1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
7

2-Methyl-4(5)-nitroimidazole, 99%

CAS: 696-23-1 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00005191 InChI Key: FFYTTYVSDVWNMY-UHFFFAOYSA-N Synonym: 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro PubChem CID: 12760 IUPAC Name: 2-methyl-5-nitro-1H-imidazole SMILES: CC1=NC=C(N1)[N+]([O-])=O

PubChem CID 12760
CAS 696-23-1
Molecular Weight (g/mol) 127.10
MDL Number MFCD00005191
SMILES CC1=NC=C(N1)[N+]([O-])=O
Synonym 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro
IUPAC Name 2-methyl-5-nitro-1H-imidazole
InChI Key FFYTTYVSDVWNMY-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
8

4,5-Imidazoledicarboxylic acid, 97%

CAS: 570-22-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00005200 InChI Key: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid SMILES: OC(=O)C1=C(N=CN1)C(O)=O

PubChem CID 68442
CAS 570-22-9
Molecular Weight (g/mol) 156.10
MDL Number MFCD00005200
SMILES OC(=O)C1=C(N=CN1)C(O)=O
Synonym 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid
IUPAC Name 1H-imidazole-4,5-dicarboxylic acid
InChI Key ZEVWQFWTGHFIDH-UHFFFAOYSA-N
Molecular Formula C5H4N2O4
9

1-Vinylimidazole, 99%

CAS: 1072-63-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00005297 InChI Key: OSSNTDFYBPYIEC-UHFFFAOYSA-N Synonym: 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer PubChem CID: 66171 SMILES: C=CN1C=CN=C1

PubChem CID 66171
CAS 1072-63-5
Molecular Weight (g/mol) 94.12
MDL Number MFCD00005297
SMILES C=CN1C=CN=C1
Synonym 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer
InChI Key OSSNTDFYBPYIEC-UHFFFAOYSA-N
Molecular Formula C5H6N2
10

1-Ethyl-3-methylimidazolium acetate, 97%

CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]

PubChem CID 11658353
CAS 143314-17-4
Molecular Weight (g/mol) 170.212
MDL Number MFCD06798186
SMILES CCN1C=C[N+](=C1)C.CC(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;acetate
InChI Key XIYUIMLQTKODPS-UHFFFAOYSA-M
Molecular Formula C8H14N2O2
11

1-Aminobenzotriazole, 97%

CAS: 1614-12-6 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.142 MDL Number: MFCD00132902 InChI Key: JCXKHYLLVKZPKE-UHFFFAOYSA-N Synonym: 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine PubChem CID: 1367 IUPAC Name: benzotriazol-1-amine SMILES: C1=CC=C2C(=C1)N=NN2N

PubChem CID 1367
CAS 1614-12-6
Molecular Weight (g/mol) 134.142
MDL Number MFCD00132902
SMILES C1=CC=C2C(=C1)N=NN2N
Synonym 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine
IUPAC Name benzotriazol-1-amine
InChI Key JCXKHYLLVKZPKE-UHFFFAOYSA-N
Molecular Formula C6H6N4
12

2-Amino-4-phenylthiazole, 98%

CAS: 2010-06-2 Molecular Formula: C9H8N2S Molecular Weight (g/mol): 176.24 MDL Number: MFCD00039680 InChI Key: PYSJLPAOBIGQPK-UHFFFAOYSA-N Synonym: 4-phenylthiazol-2-amine,2-amino-4-phenylthiazole,phenthiazamine,2-thiazolamine, 4-phenyl,4-phenyl-2-thiazolamine,thiazole, 2-amino-4-phenyl,4-phenyl-thiazol-2-ylamine,4-phenyl-2-thiazolylamine,2-amino-4-phenyl-1,3-thiazole,4-phenyl-2-aminothiazole PubChem CID: 40302 IUPAC Name: 4-phenyl-1,3-thiazol-2-amine SMILES: C1=CC=C(C=C1)C2=CSC(=N2)N

PubChem CID 40302
CAS 2010-06-2
Molecular Weight (g/mol) 176.24
MDL Number MFCD00039680
SMILES C1=CC=C(C=C1)C2=CSC(=N2)N
Synonym 4-phenylthiazol-2-amine,2-amino-4-phenylthiazole,phenthiazamine,2-thiazolamine, 4-phenyl,4-phenyl-2-thiazolamine,thiazole, 2-amino-4-phenyl,4-phenyl-thiazol-2-ylamine,4-phenyl-2-thiazolylamine,2-amino-4-phenyl-1,3-thiazole,4-phenyl-2-aminothiazole
IUPAC Name 4-phenyl-1,3-thiazol-2-amine
InChI Key PYSJLPAOBIGQPK-UHFFFAOYSA-N
Molecular Formula C9H8N2S
13

2,5-Dimercapto-1,3,4-thiadiazole dipotassium salt, 97%

CAS: 4628-94-8 Molecular Formula: C2K2N2S3 Molecular Weight (g/mol): 226.413 MDL Number: MFCD00003104 InChI Key: GPWLFGDMYSVEGN-UHFFFAOYSA-L Synonym: 2,5-dimercapto-1,3,4-thiadiazole, dipotassium salt,dipotassium 1,3,4-thiadiazole-2,5-dithiolate,dipotassium 1,3,4-thiadiazole-2,5-bis thiolate,1,3,4-thiadiazolidine-2,5-dithione, dipotassium salt,1,3,4-thiadiazolidine-2,5-dithione, potassium salt 1:2,dipotassium 5-sulfanidyl-1,3,4-thiadiazol-2-yl sulfanide,2,5-dimercapto-1,3,4-thiadiazole dipotassium salt,1,3,4-thiadiazole-2,5-dithiol dipotassium salt,2,5-di potassiothio-1,3,4-thiadiazole PubChem CID: 78364 IUPAC Name: dipotassium;1,3,4-thiadiazole-2,5-dithiolate SMILES: C1(=NN=C(S1)[S-])[S-].[K+].[K+]

PubChem CID 78364
CAS 4628-94-8
Molecular Weight (g/mol) 226.413
MDL Number MFCD00003104
SMILES C1(=NN=C(S1)[S-])[S-].[K+].[K+]
Synonym 2,5-dimercapto-1,3,4-thiadiazole, dipotassium salt,dipotassium 1,3,4-thiadiazole-2,5-dithiolate,dipotassium 1,3,4-thiadiazole-2,5-bis thiolate,1,3,4-thiadiazolidine-2,5-dithione, dipotassium salt,1,3,4-thiadiazolidine-2,5-dithione, potassium salt 1:2,dipotassium 5-sulfanidyl-1,3,4-thiadiazol-2-yl sulfanide,2,5-dimercapto-1,3,4-thiadiazole dipotassium salt,1,3,4-thiadiazole-2,5-dithiol dipotassium salt,2,5-di potassiothio-1,3,4-thiadiazole
IUPAC Name dipotassium;1,3,4-thiadiazole-2,5-dithiolate
InChI Key GPWLFGDMYSVEGN-UHFFFAOYSA-L
Molecular Formula C2K2N2S3
14

1H-Pyrazole, 98%

CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1

PubChem CID 1048
CAS 288-13-1
Molecular Weight (g/mol) 68.079
ChEBI CHEBI:17241
MDL Number MFCD00005234
SMILES C1=CNN=C1
Synonym pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1
IUPAC Name 1H-pyrazole
InChI Key WTKZEGDFNFYCGP-UHFFFAOYSA-N
Molecular Formula C3H4N2
15

3-Hydroxy-5-methylisoxazole, 97%

CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1

PubChem CID 24781
CAS 10004-44-1
Molecular Weight (g/mol) 99.089
ChEBI CHEBI:5827
MDL Number MFCD00144468
SMILES CC1=CC(=O)NO1
Synonym hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
IUPAC Name 5-methyl-1,2-oxazol-3-one
InChI Key KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula C4H5NO2