2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine

C6H6Cl3N3 — CID 27427

IUPAC2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine
SMILESCc1nc(C)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H6Cl3N3/c1-3-10-4(2)12-5(11-3)6(7,8)9/h1-2H3
InChIKeyHOZNAODMOJEDCI-UHFFFAOYSA-N
MW226.49 g/mol
LogP2.32
Rot. Bonds

About 2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine

2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine (PubChem CID 27427) has the molecular formula C6H6Cl3N3 and a molecular weight of 226.49 g/mol. Its IUPAC name is 2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine
PubChem CID27427
Molecular FormulaC6H6Cl3N3
Molecular Weight226.49 g/mol
Exact Mass224.96
IUPAC Name2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine
SMILESCc1nc(C)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H6Cl3N3/c1-3-10-4(2)12-5(11-3)6(7,8)9/h1-2H3
InChIKeyHOZNAODMOJEDCI-UHFFFAOYSA-N
XLogP2.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.49
LogP ≤ 52.32
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-dimethyl-6-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine (CID 27427) is 2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine is Cc1nc(C)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine?
The InChIKey is HOZNAODMOJEDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N3/c1-3-10-4(2)12-5(11-3)6(7,8)9/h1-2H3.
What are the key properties of 2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine?
2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine has a molecular weight of 226.49 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 27427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).