N-(2-acetylphenyl)-2H-triazole-4-carboxamide

C11H10N4O2 — CID 78969669

IUPACN-(2-acetylphenyl)-2H-triazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C11H10N4O2/c1-7(16)8-4-2-3-5-9(8)13-11(17)10-6-12-15-14-10/h2-6H,1H3,(H,13,17)(H,12,14,15)
InChIKeyWKCGOCBHIXFXHC-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.26
Rot. Bonds3

About N-(2-acetylphenyl)-2H-triazole-4-carboxamide

N-(2-acetylphenyl)-2H-triazole-4-carboxamide (PubChem CID 78969669) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2H-triazole-4-carboxamide
PubChem CID78969669
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-(2-acetylphenyl)-2H-triazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C11H10N4O2/c1-7(16)8-4-2-3-5-9(8)13-11(17)10-6-12-15-14-10/h2-6H,1H3,(H,13,17)(H,12,14,15)
InChIKeyWKCGOCBHIXFXHC-UHFFFAOYSA-N
XLogP1.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-acetylphenyl)-2H-triazole-4-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

methyl 2-(2H-triazole-4-carbonylamino)benzoate
CID 78969246
N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969673
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 47361062
5-acetamido-2-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283056
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 47355443
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777
N-(4-bromonaphthalen-1-yl)-2H-triazole-4-carboxamide
CID 112551550
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 110475529
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-2H-triazole-4-carboxamide (CID 78969669) is N-(2-acetylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-2H-triazole-4-carboxamide is CC(=O)c1ccccc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-(2-acetylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is WKCGOCBHIXFXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7(16)8-4-2-3-5-9(8)13-11(17)10-6-12-15-14-10/h2-6H,1H3,(H,13,17)(H,12,14,15).
What are the key properties of N-(2-acetylphenyl)-2H-triazole-4-carboxamide?
N-(2-acetylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 78969669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).