2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine

C6H6Cl3N3O — CID 119091103

IUPAC2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine
SMILESCC(Cl)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H6Cl3N3O/c1-3(7)2-13-6-11-4(8)10-5(9)12-6/h3H,2H2,1H3
InChIKeyMOTLHLVXLAPFCS-UHFFFAOYSA-N
MW242.49 g/mol
LogP2.18
Rot. Bonds3

About 2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine

2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine (PubChem CID 119091103) has the molecular formula C6H6Cl3N3O and a molecular weight of 242.49 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine
PubChem CID119091103
Molecular FormulaC6H6Cl3N3O
Molecular Weight242.49 g/mol
Exact Mass240.96
IUPAC Name2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine
SMILESCC(Cl)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H6Cl3N3O/c1-3(7)2-13-6-11-4(8)10-5(9)12-6/h3H,2H2,1H3
InChIKeyMOTLHLVXLAPFCS-UHFFFAOYSA-N
XLogP2.18
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dichloro-6-(2-chloropropoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine (CID 119091103) is 2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine is CC(Cl)COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine?
The InChIKey is MOTLHLVXLAPFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N3O/c1-3(7)2-13-6-11-4(8)10-5(9)12-6/h3H,2H2,1H3.
What are the key properties of 2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine?
2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine has a molecular weight of 242.49 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-chloropropoxy)-1,3,5-triazine is sourced from PubChem (CID 119091103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).