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

C6H6Cl3N3 — CID 778089

IUPAC2,4,6-tris(chloromethyl)-1,3,5-triazine
SMILESClCc1nc(CCl)nc(CCl)n1
InChIInChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2
InChIKeyRICRAVHJCLFPFF-UHFFFAOYSA-N
MW226.49 g/mol
LogP2.09
Rot. Bonds3

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

2,4,6-tris(chloromethyl)-1,3,5-triazine (PubChem CID 778089) has the molecular formula C6H6Cl3N3 and a molecular weight of 226.49 g/mol. Its IUPAC name is 2,4,6-tris(chloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(chloromethyl)-1,3,5-triazine
PubChem CID778089
Molecular FormulaC6H6Cl3N3
Molecular Weight226.49 g/mol
Exact Mass224.96
IUPAC Name2,4,6-tris(chloromethyl)-1,3,5-triazine
SMILESClCc1nc(CCl)nc(CCl)n1
InChIInChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2
InChIKeyRICRAVHJCLFPFF-UHFFFAOYSA-N
XLogP2.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(chloromethyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(chloromethyl)-1,3,5-triazine (CID 778089) is 2,4,6-tris(chloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(chloromethyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(chloromethyl)-1,3,5-triazine is ClCc1nc(CCl)nc(CCl)n1.
What is the InChIKey of 2,4,6-tris(chloromethyl)-1,3,5-triazine?
The InChIKey is RICRAVHJCLFPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2.
What are the key properties of 2,4,6-tris(chloromethyl)-1,3,5-triazine?
2,4,6-tris(chloromethyl)-1,3,5-triazine has a molecular weight of 226.49 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(chloromethyl)-1,3,5-triazine is sourced from PubChem (CID 778089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).