2-phenyl-N-(1,2,4-triazol-4-yl)acetamide

C10H10N4O — CID 5156668

IUPAC2-phenyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cc1ccccc1)Nn1cnnc1
InChIInChI=1S/C10H10N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,15)
InChIKeyYZXYDDCOEIHNNE-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.59
Rot. Bonds3

About 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide

2-phenyl-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 5156668) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID5156668
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-phenyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cc1ccccc1)Nn1cnnc1
InChIInChI=1S/C10H10N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,15)
InChIKeyYZXYDDCOEIHNNE-UHFFFAOYSA-N
XLogP0.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide 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-phenyl-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide (CID 5156668) is 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide is O=C(Cc1ccccc1)Nn1cnnc1.
What is the InChIKey of 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is YZXYDDCOEIHNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,15).
What are the key properties of 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide?
2-phenyl-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 202.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 5156668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).