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

C6H3Cl6N3 — CID 13703

IUPAC2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H3Cl6N3/c1-2-13-3(5(7,8)9)15-4(14-2)6(10,11)12/h1H3
InChIKeyLETDRANQSOEVCX-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.83
Rot. Bonds

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

2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 13703) has the molecular formula C6H3Cl6N3 and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID13703
Molecular FormulaC6H3Cl6N3
Molecular Weight329.83 g/mol
Exact Mass326.85
IUPAC Name2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H3Cl6N3/c1-2-13-3(5(7,8)9)15-4(14-2)6(10,11)12/h1H3
InChIKeyLETDRANQSOEVCX-UHFFFAOYSA-N
XLogP3.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine, 2,4,6-tris(trichloromethyl)-
CID 23038
4-Methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 30529
2-Methoxy-4,6-bis(trichloromethyl)-S-triazine
CID 35578
2,4-Dichloro-6-methyl-1,3,5-triazine
CID 16083
1,3,5-Triazin-2-amine, 4,6-bis(trichloromethyl)-
CID 30126
1,3,5-Triazin-2-amine, N,N-dimethyl-4,6-bis(trichloromethyl)-
CID 32634
2-Methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine
CID 15857806
N,N,4-trimethyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 32666
2-Methoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine
CID 35573
2,4,6-Tris(chloromethyl)-1,3,5-triazine
CID 778089
2-(Chloromethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 35152
2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 14365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 13703) is 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine is Cc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is LETDRANQSOEVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl6N3/c1-2-13-3(5(7,8)9)15-4(14-2)6(10,11)12/h1H3.
What are the key properties of 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 329.83 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 13703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).