2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile

C17H12N4 — CID 15504350

IUPAC2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile
SMILESN#CC(c1ccccc1)c1ncc(-c2ccccc2)nn1
InChIInChI=1S/C17H12N4/c18-11-15(13-7-3-1-4-8-13)17-19-12-16(20-21-17)14-9-5-2-6-10-14/h1-10,12,15H
InChIKeyCCSGAFWIUFEINH-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.19
Rot. Bonds3

About 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile

2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile (PubChem CID 15504350) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile
PubChem CID15504350
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile
SMILESN#CC(c1ccccc1)c1ncc(-c2ccccc2)nn1
InChIInChI=1S/C17H12N4/c18-11-15(13-7-3-1-4-8-13)17-19-12-16(20-21-17)14-9-5-2-6-10-14/h1-10,12,15H
InChIKeyCCSGAFWIUFEINH-UHFFFAOYSA-N
XLogP3.19
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile 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-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile?
The IUPAC name of 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile (CID 15504350) is 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile.
What is the SMILES notation for 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile?
The canonical SMILES for 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile is N#CC(c1ccccc1)c1ncc(-c2ccccc2)nn1.
What is the InChIKey of 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile?
The InChIKey is CCSGAFWIUFEINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c18-11-15(13-7-3-1-4-8-13)17-19-12-16(20-21-17)14-9-5-2-6-10-14/h1-10,12,15H.
What are the key properties of 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile?
2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile has a molecular weight of 272.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile is sourced from PubChem (CID 15504350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).