1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone

C16H14N4O — CID 969682

IUPAC1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone
SMILESNc1nc(-c2ccccc2)nn1C(=O)Cc1ccccc1
InChIInChI=1S/C16H14N4O/c17-16-18-15(13-9-5-2-6-10-13)19-20(16)14(21)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,19)
InChIKeyOWRFGLQQIWZWDX-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.41
Rot. Bonds3

About 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone

1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone (PubChem CID 969682) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone
PubChem CID969682
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone
SMILESNc1nc(-c2ccccc2)nn1C(=O)Cc1ccccc1
InChIInChI=1S/C16H14N4O/c17-16-18-15(13-9-5-2-6-10-13)19-20(16)14(21)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,19)
InChIKeyOWRFGLQQIWZWDX-UHFFFAOYSA-N
XLogP2.41
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone 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 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone (CID 969682) is 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone is Nc1nc(-c2ccccc2)nn1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone?
The InChIKey is OWRFGLQQIWZWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-16-18-15(13-9-5-2-6-10-13)19-20(16)14(21)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,19).
What are the key properties of 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone?
1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone has a molecular weight of 278.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-2-phenylethanone is sourced from PubChem (CID 969682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).