N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide

C11H12N4O2 — CID 113290212

IUPACN-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccnn2)ccc1O
InChIInChI=1S/C11H12N4O2/c1-8-6-9(2-3-10(8)16)13-11(17)7-15-5-4-12-14-15/h2-6,16H,7H2,1H3,(H,13,17)
InChIKeyAHPVJKVXJFKQAJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.93
Rot. Bonds3

About N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide

N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide (PubChem CID 113290212) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
PubChem CID113290212
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccnn2)ccc1O
InChIInChI=1S/C11H12N4O2/c1-8-6-9(2-3-10(8)16)13-11(17)7-15-5-4-12-14-15/h2-6,16H,7H2,1H3,(H,13,17)
InChIKeyAHPVJKVXJFKQAJ-UHFFFAOYSA-N
XLogP0.93
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.93
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-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
CID 79832173
2-methyl-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291668
N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
CID 103824714
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 82885275
N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide
CID 81481429
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348507
N-(4-bromo-3,5-dimethylphenyl)-3-(triazol-1-yl)propanamide
CID 106491096
N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide
CID 81479348
2-hydroxy-4-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28790453
N-[4-bromo-3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-2-(triazol-1-yl)acetamide
CID 155515130
3-chloro-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 115348267

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide (CID 113290212) is N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2ccnn2)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide?
The InChIKey is AHPVJKVXJFKQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-6-9(2-3-10(8)16)13-11(17)7-15-5-4-12-14-15/h2-6,16H,7H2,1H3,(H,13,17).
What are the key properties of N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide?
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 113290212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).