N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide

C17H14N6O2 — CID 167983807

IUPACN-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2cc(C(=O)Nc3n[nH]c4cc(O)ccc34)nn2)c1
InChIInChI=1S/C17H14N6O2/c1-10-3-2-4-11(7-10)23-9-15(20-22-23)17(25)18-16-13-6-5-12(24)8-14(13)19-21-16/h2-9,24H,1H3,(H2,18,19,21,25)
InChIKeyAGNXLDPDJPPUMW-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.41
Rot. Bonds3

About N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide

N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 167983807) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID167983807
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2cc(C(=O)Nc3n[nH]c4cc(O)ccc34)nn2)c1
InChIInChI=1S/C17H14N6O2/c1-10-3-2-4-11(7-10)23-9-15(20-22-23)17(25)18-16-13-6-5-12(24)8-14(13)19-21-16/h2-9,24H,1H3,(H2,18,19,21,25)
InChIKeyAGNXLDPDJPPUMW-UHFFFAOYSA-N
XLogP2.41
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 167757257
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide
CID 115610229
1-(3-methylphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]triazole-4-carboxamide
CID 71880566
1-(3-methylphenyl)-N-pyrazin-2-yltriazole-4-carboxamide
CID 75508833
(6-hydroxy-1H-indazol-3-yl)urea
CID 174460689
N-(6-hydroxy-1H-indazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 167923384
N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 167849022
1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119387980
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide
CID 43546741
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119506900
N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 120831934
N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide
CID 167982693

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide (CID 167983807) is N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2cc(C(=O)Nc3n[nH]c4cc(O)ccc34)nn2)c1.
What is the InChIKey of N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is AGNXLDPDJPPUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-10-3-2-4-11(7-10)23-9-15(20-22-23)17(25)18-16-13-6-5-12(24)8-14(13)19-21-16/h2-9,24H,1H3,(H2,18,19,21,25).
What are the key properties of N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide?
N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 167983807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).