2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid

C17H14N4O3 — CID 900899

IUPAC2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O3/c22-14(23)11-18-17(24)15-19-16(12-7-3-1-4-8-12)21(20-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,24)(H,22,23)
InChIKeyAGOOJTUDNDWVFB-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.75
Rot. Bonds5

About 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid

2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid (PubChem CID 900899) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid
PubChem CID900899
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O3/c22-14(23)11-18-17(24)15-19-16(12-7-3-1-4-8-12)21(20-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,24)(H,22,23)
InChIKeyAGOOJTUDNDWVFB-UHFFFAOYSA-N
XLogP1.75
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid (CID 900899) is 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid?
The InChIKey is AGOOJTUDNDWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-14(23)11-18-17(24)15-19-16(12-7-3-1-4-8-12)21(20-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,24)(H,22,23).
What are the key properties of 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid?
2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid has a molecular weight of 322.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 900899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).