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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.
Pyrazoles (129)
Imidazoles (125)
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1 – 15 of 204 results
1

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 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
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2

1-Butyl-3-methylimidazolium hexafluorophosphate, 98+%

CAS: 174501-64-5 Molecular Formula: C8H15F6N2P Molecular Weight (g/mol): 284.19 MDL Number: MFCD03093295 InChI Key: IXQYBUDWDLYNMA-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate PubChem CID: 2734174 SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1

EDGE
PubChem CID 2734174
CAS 174501-64-5
Molecular Weight (g/mol) 284.19
MDL Number MFCD03093295
SMILES F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium hexafluorophosphate,1-butyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,unii-zge3n4o8q9,1-butyl-3-methylimidazoliumhexafluorophosphate,1-n-butyl-3-methylimidazolium hexafluorophosphate,zge3n4o8q9,butylmethylimidazolium hexafluorophosphate,1-methyl-3-butylimidazolium hexafluorophosphate,bmim pf6,c4mim hexafluorophosphate
InChI Key IXQYBUDWDLYNMA-UHFFFAOYSA-N
Molecular Formula C8H15F6N2P
3

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 IUPAC Name: 1-methylimidazole 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
IUPAC Name 1-methylimidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
4

1H-Benzotriazole, 99%

CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

PubChem CID 7220
CAS 95-14-7
Molecular Weight (g/mol) 119.13
ChEBI CHEBI:75331
MDL Number MFCD00005699
SMILES C1=CC2=NNN=C2C=C1
Synonym 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
IUPAC Name 2H-benzotriazole
InChI Key QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula C6H5N3
5

Indazole, 96%

CAS: 271-44-3 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 InChI Key: BAXOFTOLAUCFNW-UHFFFAOYSA-N Synonym: indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole PubChem CID: 9221 ChEBI: CHEBI:36669 IUPAC Name: 1H-indazole SMILES: C1=CC=C2C(=C1)C=NN2

PubChem CID 9221
CAS 271-44-3
Molecular Weight (g/mol) 118.14
ChEBI CHEBI:36669
SMILES C1=CC=C2C(=C1)C=NN2
Synonym indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole
IUPAC Name 1H-indazole
InChI Key BAXOFTOLAUCFNW-UHFFFAOYSA-N
Molecular Formula C7H6N2
6

2-Phenylimidazole, 98%

CAS: 670-96-2 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00005186 InChI Key: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N Synonym: 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy PubChem CID: 69591 IUPAC Name: 2-phenyl-1H-imidazole SMILES: N1C=CN=C1C1=CC=CC=C1

PubChem CID 69591
CAS 670-96-2
Molecular Weight (g/mol) 144.18
MDL Number MFCD00005186
SMILES N1C=CN=C1C1=CC=CC=C1
Synonym 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy
IUPAC Name 2-phenyl-1H-imidazole
InChI Key ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
Molecular Formula C9H8N2
7

1-Butyl-3-methylimidazolium chloride, 98+%

CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCCCN1C=C[N+](C)=C1

PubChem CID 2734161
CAS 79917-90-1
Molecular Weight (g/mol) 174.67
MDL Number MFCD03095425
SMILES [Cl-].CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461
IUPAC Name 1-butyl-3-methylimidazol-3-ium;chloride
InChI Key FHDQNOXQSTVAIC-UHFFFAOYSA-M
Molecular Formula C8H15ClN2
8

1-Ethyl-3-methylimidazolium chloride, 97%

CAS: 65039-09-0 Molecular Formula: C6H11ClN2 Molecular Weight (g/mol): 146.62 MDL Number: MFCD00074843 InChI Key: BMQZYMYBQZGEEY-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 PubChem CID: 2734160 ChEBI: CHEBI:61327 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCN1C=C[N+](C)=C1

PubChem CID 2734160
CAS 65039-09-0
Molecular Weight (g/mol) 146.62
ChEBI CHEBI:61327
MDL Number MFCD00074843
SMILES [Cl-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;chloride
InChI Key BMQZYMYBQZGEEY-UHFFFAOYSA-M
Molecular Formula C6H11ClN2
9

3-Amino-1H-1,2,4-triazole, 95%

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

PubChem CID 1639
CAS 61-82-5
Molecular Weight (g/mol) 84.08
ChEBI CHEBI:40036
MDL Number MFCD00005230,MFCD00053362
SMILES NC1=NC=NN1
Synonym 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
IUPAC Name 1H-1,2,4-triazol-5-amine
InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula C2H4N4
10

Acycloguanosine, 98%

CAS: 59277-89-3 Molecular Formula: C8H11N5O3 Molecular Weight (g/mol): 225.21 MDL Number: MFCD00057880 InChI Key: MKUXAQIIEYXACX-UHFFFAOYSA-N Synonym: acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum PubChem CID: 2022 ChEBI: CHEBI:2453 IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one SMILES: NC1=NC2=C(N=CN2COCCO)C(=O)N1

PubChem CID 2022
CAS 59277-89-3
Molecular Weight (g/mol) 225.21
ChEBI CHEBI:2453
MDL Number MFCD00057880
SMILES NC1=NC2=C(N=CN2COCCO)C(=O)N1
Synonym acyclovir,aciclovir,acycloguanosine,zovirax,vipral,virorax,wellcome-248u,9-2-hydroxyethoxy methyl guanine,zovir,aciclovirum
IUPAC Name 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
InChI Key MKUXAQIIEYXACX-UHFFFAOYSA-N
Molecular Formula C8H11N5O3
11

1-Ethyl-3-methylimidazolium bromide, 98%

CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 SMILES: [Br-].CCN1C=C[N+](C)=C1

PubChem CID 2734235
CAS 65039-08-9
Molecular Weight (g/mol) 191.07
MDL Number MFCD03427610
SMILES [Br-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br
InChI Key GWQYPLXGJIXMMV-UHFFFAOYSA-M
Molecular Formula C6H11BrN2
12

3-Amino-5-iodo-1H-indazole, 95%, Thermo Scientific™

CAS: 88805-76-9 Molecular Formula: C7H6IN3 Molecular Weight (g/mol): 259.05 MDL Number: MFCD09261138 InChI Key: GBUVSJWTWOWRSL-UHFFFAOYSA-N Synonym: 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine PubChem CID: 20135868 IUPAC Name: 5-iodo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(I)C=C12

PubChem CID 20135868
CAS 88805-76-9
Molecular Weight (g/mol) 259.05
MDL Number MFCD09261138
SMILES NC1=NNC2=CC=C(I)C=C12
Synonym 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine
IUPAC Name 5-iodo-1H-indazol-3-amine
InChI Key GBUVSJWTWOWRSL-UHFFFAOYSA-N
Molecular Formula C7H6IN3
13

1H-Indazole-4-carboxaldehyde, 97%

CAS: 669050-70-8 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.15 MDL Number: MFCD06738279 InChI Key: FPJXNCKSPFGQGC-UHFFFAOYSA-N Synonym: 4-formylindazole,1h-indazole-4-carboxaldehyde,4-formyl-1h-indazole,1h-indazol-4-carboxaldehyde,pubchem22512,acmc-209nwx,1h-indazole-4-carboxaldehyde 9ci PubChem CID: 45083569 IUPAC Name: 1H-indazole-4-carbaldehyde SMILES: C1=CC(=C2C=NNC2=C1)C=O

PubChem CID 45083569
CAS 669050-70-8
Molecular Weight (g/mol) 146.15
MDL Number MFCD06738279
SMILES C1=CC(=C2C=NNC2=C1)C=O
Synonym 4-formylindazole,1h-indazole-4-carboxaldehyde,4-formyl-1h-indazole,1h-indazol-4-carboxaldehyde,pubchem22512,acmc-209nwx,1h-indazole-4-carboxaldehyde 9ci
IUPAC Name 1H-indazole-4-carbaldehyde
InChI Key FPJXNCKSPFGQGC-UHFFFAOYSA-N
Molecular Formula C8H6N2O
14

1H-Indazole-7-carboxylic acid, 97%, Thermo Scientific Chemicals

CAS: 677304-69-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD06804572 InChI Key: WBCWIQCXHSXMDH-UHFFFAOYSA-N Synonym: 7-carboxy-1h-indazole,1h-indazole-7-carboxylicacid,indazole-7-carboxylic acid,7-indazole carboxylic acid,pubchem17673,acmc-1bl1h,ksc351o8t,2h-indazole-7-carboxylic acid,7-1h indazole carboxylic acid PubChem CID: 12639205 IUPAC Name: 1H-indazole-7-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)NN=C2

PubChem CID 12639205
CAS 677304-69-7
Molecular Weight (g/mol) 162.15
MDL Number MFCD06804572
SMILES C1=CC2=C(C(=C1)C(=O)O)NN=C2
Synonym 7-carboxy-1h-indazole,1h-indazole-7-carboxylicacid,indazole-7-carboxylic acid,7-indazole carboxylic acid,pubchem17673,acmc-1bl1h,ksc351o8t,2h-indazole-7-carboxylic acid,7-1h indazole carboxylic acid
IUPAC Name 1H-indazole-7-carboxylic acid
InChI Key WBCWIQCXHSXMDH-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
15

5-Cyclopropyl-1,2,4-oxadiazol-3-amine, 97%, Thermo Scientific™

CAS: 868696-42-8 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.13 InChI Key: OHSZRALIDGBNES-UHFFFAOYSA-N Synonym: 1,2,4-oxadiazol-3-amine, 5-cyclopropyl PubChem CID: 51072255 IUPAC Name: 5-cyclopropyl-1,2,4-oxadiazol-3-amine SMILES: C1CC1C2=NC(=NO2)N

PubChem CID 51072255
CAS 868696-42-8
Molecular Weight (g/mol) 125.13
SMILES C1CC1C2=NC(=NO2)N
Synonym 1,2,4-oxadiazol-3-amine, 5-cyclopropyl
IUPAC Name 5-cyclopropyl-1,2,4-oxadiazol-3-amine
InChI Key OHSZRALIDGBNES-UHFFFAOYSA-N
Molecular Formula C5H7N3O