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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 (2,977)
Thiazoles (2,012)
Pyrazoles (1,494)
Triazoles (583)
Oxazoles (552)
Oxadiazoles (244)
Isoxazoles (232)
Thiadiazoles (71)
Dithiazoles (4)

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16 – 30 of 6,945 results
16

1H-[1,2,4]Oxadiazolo[4,3-a]-quinoxalin-1-one, 98+%

CAS: 41443-28-1 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.158 MDL Number: MFCD00792620 InChI Key: LZMHWZHOZLVYDL-UHFFFAOYSA-N Synonym: 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq PubChem CID: 1456 IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23

PubChem CID 1456
CAS 41443-28-1
Molecular Weight (g/mol) 187.158
MDL Number MFCD00792620
SMILES C1=CC=C2C(=C1)N=CC3=NOC(=O)N23
Synonym 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq
IUPAC Name [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
InChI Key LZMHWZHOZLVYDL-UHFFFAOYSA-N
Molecular Formula C9H5N3O2
17

Candesartan, 98%

CAS: 139481-59-7 Molecular Formula: C24H20N6O3 Molecular Weight (g/mol): 440.463 MDL Number: MFCD00081076 InChI Key: HTQMVQVXFRQIKW-UHFFFAOYSA-N Synonym: candesartan,blopress,ratacand,1-2'-1h-tetrazol-5-yl-1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzo d imidazole-7-carboxylic acid,candesartan ban,3h candesartan,unii-s8q36md2xx,2-ethoxy-3-4-2-2h-tetrazol-5-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid,candesartan usan/inn,candesartan usan:inn PubChem CID: 2541 ChEBI: CHEBI:3347 IUPAC Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

PubChem CID 2541
CAS 139481-59-7
Molecular Weight (g/mol) 440.463
ChEBI CHEBI:3347
MDL Number MFCD00081076
SMILES CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
Synonym candesartan,blopress,ratacand,1-2'-1h-tetrazol-5-yl-1,1'-biphenyl-4-yl methyl-2-ethoxy-1h-benzo d imidazole-7-carboxylic acid,candesartan ban,3h candesartan,unii-s8q36md2xx,2-ethoxy-3-4-2-2h-tetrazol-5-yl phenyl phenyl methyl benzimidazole-4-carboxylic acid,candesartan usan/inn,candesartan usan:inn
IUPAC Name 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
InChI Key HTQMVQVXFRQIKW-UHFFFAOYSA-N
Molecular Formula C24H20N6O3
18

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
19

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
20

Carbimazole, 98%, Thermo Scientific™

CAS: 22232-54-8 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.23 InChI Key: CFOYWRHIYXMDOT-UHFFFAOYSA-N Synonym: carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat PubChem CID: 31072 ChEBI: CHEBI:617099 IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate SMILES: CCOC(=O)N1C=CN(C1=S)C

PubChem CID 31072
CAS 22232-54-8
Molecular Weight (g/mol) 186.23
ChEBI CHEBI:617099
SMILES CCOC(=O)N1C=CN(C1=S)C
Synonym carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat
IUPAC Name ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate
InChI Key CFOYWRHIYXMDOT-UHFFFAOYSA-N
Molecular Formula C7H10N2O2S
21

Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.156
ChEBI CHEBI:6909
MDL Number MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
22

4-Imidazoleacetic acid hydrochloride, 98%

CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1

PubChem CID 145685
CAS 3251-69-2
Molecular Weight (g/mol) 162.57
MDL Number MFCD00012698
SMILES Cl.OC(=O)CC1=CN=CN1
Synonym 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao
IUPAC Name 2-(1H-imidazol-5-yl)acetic acid;hydrochloride
InChI Key MWHLCFYPFGFBQO-UHFFFAOYSA-N
Molecular Formula C5H7ClN2O2
23

2,5-Dimercapto-1,3,4-thiadiazole, 98%

CAS: 1072-71-5 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00003103 InChI Key: BIGYLAKFCGVRAN-UHFFFAOYSA-N Synonym: 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i PubChem CID: 2723630 IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione SMILES: S=C1NNC(=S)S1

PubChem CID 2723630
CAS 1072-71-5
Molecular Weight (g/mol) 150.23
MDL Number MFCD00003103
SMILES S=C1NNC(=S)S1
Synonym 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i
IUPAC Name 1,3,4-thiadiazolidine-2,5-dithione
InChI Key BIGYLAKFCGVRAN-UHFFFAOYSA-N
Molecular Formula C2H2N2S3
24

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
25

5-Aminoimidazole-4-carboxamide, 95%

CAS: 360-97-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD02181040 InChI Key: DVNYTAVYBRSTGK-UHFFFAOYSA-N Synonym: 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole PubChem CID: 9679 ChEBI: CHEBI:2030 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide SMILES: NC(=O)C1=C(N)N=CN1

PubChem CID 9679
CAS 360-97-4
Molecular Weight (g/mol) 126.12
ChEBI CHEBI:2030
MDL Number MFCD02181040
SMILES NC(=O)C1=C(N)N=CN1
Synonym 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole
IUPAC Name 4-amino-1H-imidazole-5-carboxamide
InChI Key DVNYTAVYBRSTGK-UHFFFAOYSA-N
Molecular Formula C4H6N4O
26

3-Amino-1H-1,2,4-triazole, 96%

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
27

Metronidazole, 99.32%, MP Biomedicals™

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.156
ChEBI CHEBI:6909
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
28

1-Methyl-3-n-octylimidazolium bis(trifluoromethylsulfonyl)imide, 99%

CAS: 178631-04-4 Molecular Formula: C14H23F6N3O4S2 Molecular Weight (g/mol): 475.465 MDL Number: MFCD08458946 InChI Key: LECQXINNQGHJBM-UHFFFAOYSA-N Synonym: 1-methyl-3-octylimidazolium bis trifluoromethylsulfonyl imide,dsstox_cid_27931,dsstox_rid_82684,dsstox_gsid_47955,1-octyl-3-methylimidazolium; bistriflylimide anion,1-n-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-methyl-3-n-octylimidazolium bis trifluoromethanesulfonyl imide PubChem CID: 12184591 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium SMILES: CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

PubChem CID 12184591
CAS 178631-04-4
Molecular Weight (g/mol) 475.465
MDL Number MFCD08458946
SMILES CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Synonym 1-methyl-3-octylimidazolium bis trifluoromethylsulfonyl imide,dsstox_cid_27931,dsstox_rid_82684,dsstox_gsid_47955,1-octyl-3-methylimidazolium; bistriflylimide anion,1-n-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-methyl-3-n-octylimidazolium bis trifluoromethanesulfonyl imide
IUPAC Name bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium
InChI Key LECQXINNQGHJBM-UHFFFAOYSA-N
Molecular Formula C14H23F6N3O4S2
29

1-(3-Aminopropyl)imidazole, 98%

CAS: 5036-48-6 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.18 MDL Number: MFCD00009819 InChI Key: KDHWOCLBMVSZPG-UHFFFAOYSA-N Synonym: 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine PubChem CID: 78736 SMILES: NCCCN1C=CN=C1

PubChem CID 78736
CAS 5036-48-6
Molecular Weight (g/mol) 125.18
MDL Number MFCD00009819
SMILES NCCCN1C=CN=C1
Synonym 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine
InChI Key KDHWOCLBMVSZPG-UHFFFAOYSA-N
Molecular Formula C6H11N3
30

4-(4-Fluorophenyl)imidazole, 97%

CAS: 65020-70-4 Molecular Formula: C9H7FN2 Molecular Weight (g/mol): 162.167 MDL Number: MFCD00297041 InChI Key: QYDAFWKRBZYBOB-UHFFFAOYSA-N Synonym: 4-4-fluorophenyl-1h-imidazole,5-4-fluorophenyl-1h-imidazole,1h-imidazole,5-4-fluorophenyl,4-4-fluoro-phenyl-1h-imidazole,regid_for_cid_657876,5-4-fluorophenyl-3h-imidazole,4-4-fluorophenyl-1h-imidazole, 9,1h-imidazole, 5-4-fluorophenyl,3sq PubChem CID: 657876 IUPAC Name: 5-(4-fluorophenyl)-1H-imidazole SMILES: C1=CC(=CC=C1C2=CN=CN2)F

PubChem CID 657876
CAS 65020-70-4
Molecular Weight (g/mol) 162.167
MDL Number MFCD00297041
SMILES C1=CC(=CC=C1C2=CN=CN2)F
Synonym 4-4-fluorophenyl-1h-imidazole,5-4-fluorophenyl-1h-imidazole,1h-imidazole,5-4-fluorophenyl,4-4-fluoro-phenyl-1h-imidazole,regid_for_cid_657876,5-4-fluorophenyl-3h-imidazole,4-4-fluorophenyl-1h-imidazole, 9,1h-imidazole, 5-4-fluorophenyl,3sq
IUPAC Name 5-(4-fluorophenyl)-1H-imidazole
InChI Key QYDAFWKRBZYBOB-UHFFFAOYSA-N
Molecular Formula C9H7FN2