N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide

C16H14N4O2 — CID 136929474

IUPACN-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3ccccc3O)nn2)cc1
InChIInChI=1S/C16H14N4O2/c1-11-6-8-12(9-7-11)20-10-14(18-19-20)16(22)17-13-4-2-3-5-15(13)21/h2-10,21H,1H3,(H,17,22)
InChIKeyHLEONJGZFNYUQM-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.53
Rot. Bonds3

About N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide

N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 136929474) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID136929474
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3ccccc3O)nn2)cc1
InChIInChI=1S/C16H14N4O2/c1-11-6-8-12(9-7-11)20-10-14(18-19-20)16(22)17-13-4-2-3-5-15(13)21/h2-10,21H,1H3,(H,17,22)
InChIKeyHLEONJGZFNYUQM-UHFFFAOYSA-N
XLogP2.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38951839
N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38955384
1-(4-methylphenyl)triazole-4-carbonyl chloride
CID 71320958
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 119041119
methyl 4-chloro-3-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]benzoate
CID 99587320
1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
CID 99586321
N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide
CID 155591167
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504
N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 39394633
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide
CID 43546741
(2S)-2-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97233528

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 136929474) is N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)Nc3ccccc3O)nn2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is HLEONJGZFNYUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-6-8-12(9-7-11)20-10-14(18-19-20)16(22)17-13-4-2-3-5-15(13)21/h2-10,21H,1H3,(H,17,22).
What are the key properties of N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 136929474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).