3-chloro-6-phenyl-1,2,4-triazine

C9H6ClN3 — CID 11030632

IUPAC3-chloro-6-phenyl-1,2,4-triazine
SMILESClc1ncc(-c2ccccc2)nn1
InChIInChI=1S/C9H6ClN3/c10-9-11-6-8(12-13-9)7-4-2-1-3-5-7/h1-6H
InChIKeyPOSVMUJKVDQWHT-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.19
Rot. Bonds1

About 3-chloro-6-phenyl-1,2,4-triazine

3-chloro-6-phenyl-1,2,4-triazine (PubChem CID 11030632) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 3-chloro-6-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-6-phenyl-1,2,4-triazine
PubChem CID11030632
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name3-chloro-6-phenyl-1,2,4-triazine
SMILESClc1ncc(-c2ccccc2)nn1
InChIInChI=1S/C9H6ClN3/c10-9-11-6-8(12-13-9)7-4-2-1-3-5-7/h1-6H
InChIKeyPOSVMUJKVDQWHT-UHFFFAOYSA-N
XLogP2.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-phenyl-1,2,4-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 3-chloro-6-phenyl-1,2,4-triazine?
The IUPAC name of 3-chloro-6-phenyl-1,2,4-triazine (CID 11030632) is 3-chloro-6-phenyl-1,2,4-triazine.
What is the SMILES notation for 3-chloro-6-phenyl-1,2,4-triazine?
The canonical SMILES for 3-chloro-6-phenyl-1,2,4-triazine is Clc1ncc(-c2ccccc2)nn1.
What is the InChIKey of 3-chloro-6-phenyl-1,2,4-triazine?
The InChIKey is POSVMUJKVDQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c10-9-11-6-8(12-13-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3-chloro-6-phenyl-1,2,4-triazine?
3-chloro-6-phenyl-1,2,4-triazine has a molecular weight of 191.62 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenyl-1,2,4-triazine is sourced from PubChem (CID 11030632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).