N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide

C11H12N4O2 — CID 136716967

IUPACN-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1cn(C)nn1
InChIInChI=1S/C11H12N4O2/c1-7-5-8(16)3-4-9(7)12-11(17)10-6-15(2)14-13-10/h3-6,16H,1-2H3,(H,12,17)
InChIKeyHNMSEEHTPQWERN-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.08
Rot. Bonds2

About N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide

N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide (PubChem CID 136716967) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide
PubChem CID136716967
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1cn(C)nn1
InChIInChI=1S/C11H12N4O2/c1-7-5-8(16)3-4-9(7)12-11(17)10-6-15(2)14-13-10/h3-6,16H,1-2H3,(H,12,17)
InChIKeyHNMSEEHTPQWERN-UHFFFAOYSA-N
XLogP1.08
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966
N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
CID 45497225
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
CID 110439460
N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468789
2-[4-[(4-bromo-2-methylphenyl)carbamoyl]triazol-1-yl]acetic acid
CID 66291024
N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
CID 110482144
2-[4-[(1-methyltriazole-4-carbonyl)amino]phenyl]acetic acid
CID 110461928
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
1-methyl-N-(3-methylsulfonylphenyl)triazole-4-carboxamide
CID 110461981
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
CID 110482110

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide (CID 136716967) is N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide is Cc1cc(O)ccc1NC(=O)c1cn(C)nn1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide?
The InChIKey is HNMSEEHTPQWERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-5-8(16)3-4-9(7)12-11(17)10-6-15(2)14-13-10/h3-6,16H,1-2H3,(H,12,17).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide?
N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 136716967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).