2,4-dichloro-6-methoxy-1,3,5-triazine

C4H3Cl2N3O — CID 19267

IUPAC2,4-dichloro-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKeyJKAPWXKZLYJQJJ-UHFFFAOYSA-N
MW179.99 g/mol
LogP1.19
Rot. Bonds1

About 2,4-dichloro-6-methoxy-1,3,5-triazine

2,4-dichloro-6-methoxy-1,3,5-triazine (PubChem CID 19267) has the molecular formula C4H3Cl2N3O and a molecular weight of 179.99 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-methoxy-1,3,5-triazine
PubChem CID19267
Molecular FormulaC4H3Cl2N3O
Molecular Weight179.99 g/mol
Exact Mass178.97
IUPAC Name2,4-dichloro-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKeyJKAPWXKZLYJQJJ-UHFFFAOYSA-N
XLogP1.19
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.99
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methoxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-methoxy-1,3,5-triazine (CID 19267) is 2,4-dichloro-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-methoxy-1,3,5-triazine?
The InChIKey is JKAPWXKZLYJQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3.
What are the key properties of 2,4-dichloro-6-methoxy-1,3,5-triazine?
2,4-dichloro-6-methoxy-1,3,5-triazine has a molecular weight of 179.99 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 19267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).