2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine

C18H9Cl3N6 — CID 132506432

IUPAC2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine
SMILESClc1cnccc1-c1nc(-c2ccncc2Cl)nc(-c2ccncc2Cl)n1
InChIInChI=1S/C18H9Cl3N6/c19-13-7-22-4-1-10(13)16-25-17(11-2-5-23-8-14(11)20)27-18(26-16)12-3-6-24-9-15(12)21/h1-9H
InChIKeyTVEHKFDFONGNDQ-UHFFFAOYSA-N
MW415.67 g/mol
LogP5.02
Rot. Bonds3

About 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine

2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine (PubChem CID 132506432) has the molecular formula C18H9Cl3N6 and a molecular weight of 415.67 g/mol. Its IUPAC name is 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine
PubChem CID132506432
Molecular FormulaC18H9Cl3N6
Molecular Weight415.67 g/mol
Exact Mass414.00
IUPAC Name2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine
SMILESClc1cnccc1-c1nc(-c2ccncc2Cl)nc(-c2ccncc2Cl)n1
InChIInChI=1S/C18H9Cl3N6/c19-13-7-22-4-1-10(13)16-25-17(11-2-5-23-8-14(11)20)27-18(26-16)12-3-6-24-9-15(12)21/h1-9H
InChIKeyTVEHKFDFONGNDQ-UHFFFAOYSA-N
XLogP5.02
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,6-tris(3-chloro-4-pyridinyl)-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 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine (CID 132506432) is 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine is Clc1cnccc1-c1nc(-c2ccncc2Cl)nc(-c2ccncc2Cl)n1.
What is the InChIKey of 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine?
The InChIKey is TVEHKFDFONGNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl3N6/c19-13-7-22-4-1-10(13)16-25-17(11-2-5-23-8-14(11)20)27-18(26-16)12-3-6-24-9-15(12)21/h1-9H.
What are the key properties of 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine?
2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine has a molecular weight of 415.67 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(3-chloro-4-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 132506432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).