N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C17H14N4O2 — CID 2984874

IUPACN-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N4O2/c1-12(22)13-7-9-14(10-8-13)19-17(23)16-18-11-21(20-16)15-5-3-2-4-6-15/h2-11H,1H3,(H,19,23)
InChIKeyRLLRWAGOFLYIDU-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.72
Rot. Bonds4

About N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2984874) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID2984874
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N4O2/c1-12(22)13-7-9-14(10-8-13)19-17(23)16-18-11-21(20-16)15-5-3-2-4-6-15/h2-11H,1H3,(H,19,23)
InChIKeyRLLRWAGOFLYIDU-UHFFFAOYSA-N
XLogP2.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944274
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
methyl 4-[[1-(4-chlorophenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
CID 15944326
N-(3-ethylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944264
ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
CID 24825050
N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide
CID 45268760
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909
1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 2991256
N-(3,4-dimethylphenyl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880872
N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166217474

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 2984874) is N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is RLLRWAGOFLYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-12(22)13-7-9-14(10-8-13)19-17(23)16-18-11-21(20-16)15-5-3-2-4-6-15/h2-11H,1H3,(H,19,23).
What are the key properties of N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2984874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).