benzonitrile;2-phenyl-1,3,5-triazine

C16H12N4 — CID 174883787

IUPACbenzonitrile;2-phenyl-1,3,5-triazine
SMILESN#Cc1ccccc1.c1ccc(-c2ncncn2)cc1
InChIInChI=1S/C9H7N3.C7H5N/c1-2-4-8(5-3-1)9-11-6-10-7-12-9;8-6-7-4-2-1-3-5-7/h1-7H;1-5H
InChIKeySSFXDZHGDKDXNI-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.10
Rot. Bonds1

About benzonitrile;2-phenyl-1,3,5-triazine

benzonitrile;2-phenyl-1,3,5-triazine (PubChem CID 174883787) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is benzonitrile;2-phenyl-1,3,5-triazine.

Molecular Properties

Compound Namebenzonitrile;2-phenyl-1,3,5-triazine
PubChem CID174883787
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Namebenzonitrile;2-phenyl-1,3,5-triazine
SMILESN#Cc1ccccc1.c1ccc(-c2ncncn2)cc1
InChIInChI=1S/C9H7N3.C7H5N/c1-2-4-8(5-3-1)9-11-6-10-7-12-9;8-6-7-4-2-1-3-5-7/h1-7H;1-5H
InChIKeySSFXDZHGDKDXNI-UHFFFAOYSA-N
XLogP3.10
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzonitrile;2-phenyl-1,3,5-triazine 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 benzonitrile;2-phenyl-1,3,5-triazine?
The IUPAC name of benzonitrile;2-phenyl-1,3,5-triazine (CID 174883787) is benzonitrile;2-phenyl-1,3,5-triazine.
What is the SMILES notation for benzonitrile;2-phenyl-1,3,5-triazine?
The canonical SMILES for benzonitrile;2-phenyl-1,3,5-triazine is N#Cc1ccccc1.c1ccc(-c2ncncn2)cc1.
What is the InChIKey of benzonitrile;2-phenyl-1,3,5-triazine?
The InChIKey is SSFXDZHGDKDXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3.C7H5N/c1-2-4-8(5-3-1)9-11-6-10-7-12-9;8-6-7-4-2-1-3-5-7/h1-7H;1-5H.
What are the key properties of benzonitrile;2-phenyl-1,3,5-triazine?
benzonitrile;2-phenyl-1,3,5-triazine has a molecular weight of 260.30 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;2-phenyl-1,3,5-triazine is sourced from PubChem (CID 174883787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).