5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid

C17H14N4O3 — CID 174218443

IUPAC5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid
SMILESCC(=O)Nc1cc(-c2ccccc2)ccc1-c1n[nH]nc1C(=O)O
InChIInChI=1S/C17H14N4O3/c1-10(22)18-14-9-12(11-5-3-2-4-6-11)7-8-13(14)15-16(17(23)24)20-21-19-15/h2-9H,1H3,(H,18,22)(H,23,24)(H,19,20,21)
InChIKeyBQEVZFFEPQNTKW-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.80
Rot. Bonds4

About 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid

5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid (PubChem CID 174218443) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid
PubChem CID174218443
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid
SMILESCC(=O)Nc1cc(-c2ccccc2)ccc1-c1n[nH]nc1C(=O)O
InChIInChI=1S/C17H14N4O3/c1-10(22)18-14-9-12(11-5-3-2-4-6-11)7-8-13(14)15-16(17(23)24)20-21-19-15/h2-9H,1H3,(H,18,22)(H,23,24)(H,19,20,21)
InChIKeyBQEVZFFEPQNTKW-UHFFFAOYSA-N
XLogP2.80
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid 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

5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid
CID 174218489
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
2-acetamido-5-phenylbenzoic acid
CID 70700127
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
[2-(6-oxo-1H-pyridazin-3-yl)-5-phenylphenyl]carbamothioic S-acid
CID 88725857
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
5-(3,4-dichlorophenyl)-2H-triazole-4-carboxylic acid
CID 83656916
N-(4-phenylphenyl)acetamide
CID 19998
4-phenyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 67343979

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid (CID 174218443) is 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid is CC(=O)Nc1cc(-c2ccccc2)ccc1-c1n[nH]nc1C(=O)O.
What is the InChIKey of 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid?
The InChIKey is BQEVZFFEPQNTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-10(22)18-14-9-12(11-5-3-2-4-6-11)7-8-13(14)15-16(17(23)24)20-21-19-15/h2-9H,1H3,(H,18,22)(H,23,24)(H,19,20,21).
What are the key properties of 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid?
5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 174218443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).