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

C6H5Cl4N3 — CID 21384

IUPAC2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(C(Cl)Cl)nc(C(Cl)Cl)n1
InChIInChI=1S/C6H5Cl4N3/c1-2-11-5(3(7)8)13-6(12-2)4(9)10/h3-4H,1H3
InChIKeyZPPGQHUSOAPUPD-UHFFFAOYSA-N
MW260.94 g/mol
LogP3.13
Rot. Bonds2

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

2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine (PubChem CID 21384) has the molecular formula C6H5Cl4N3 and a molecular weight of 260.94 g/mol. Its IUPAC name is 2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine
PubChem CID21384
Molecular FormulaC6H5Cl4N3
Molecular Weight260.94 g/mol
Exact Mass258.92
IUPAC Name2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(C(Cl)Cl)nc(C(Cl)Cl)n1
InChIInChI=1S/C6H5Cl4N3/c1-2-11-5(3(7)8)13-6(12-2)4(9)10/h3-4H,1H3
InChIKeyZPPGQHUSOAPUPD-UHFFFAOYSA-N
XLogP3.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.94
LogP ≤ 53.13
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-bis(dichloromethyl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine (CID 21384) is 2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine is Cc1nc(C(Cl)Cl)nc(C(Cl)Cl)n1.
What is the InChIKey of 2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine?
The InChIKey is ZPPGQHUSOAPUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl4N3/c1-2-11-5(3(7)8)13-6(12-2)4(9)10/h3-4H,1H3.
What are the key properties of 2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine?
2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine has a molecular weight of 260.94 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(dichloromethyl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 21384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).