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

C9H5Cl2N3 — CID 15549

IUPAC2,4-dichloro-6-phenyl-1,3,5-triazine
SMILESClc1nc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H
InChIKeyAMEVJOWOWQPPJQ-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.85
Rot. Bonds1

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

2,4-dichloro-6-phenyl-1,3,5-triazine (PubChem CID 15549) has the molecular formula C9H5Cl2N3 and a molecular weight of 226.07 g/mol. Its IUPAC name is 2,4-dichloro-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-phenyl-1,3,5-triazine
PubChem CID15549
Molecular FormulaC9H5Cl2N3
Molecular Weight226.07 g/mol
Exact Mass224.99
IUPAC Name2,4-dichloro-6-phenyl-1,3,5-triazine
SMILESClc1nc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H
InChIKeyAMEVJOWOWQPPJQ-UHFFFAOYSA-N
XLogP2.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-phenyl-1,3,5-triazine (CID 15549) is 2,4-dichloro-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-phenyl-1,3,5-triazine is Clc1nc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2,4-dichloro-6-phenyl-1,3,5-triazine?
The InChIKey is AMEVJOWOWQPPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2,4-dichloro-6-phenyl-1,3,5-triazine?
2,4-dichloro-6-phenyl-1,3,5-triazine has a molecular weight of 226.07 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 15549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).