4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one

C15H9Cl2N3O — CID 135472997

IUPAC4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one
SMILESO=c1nc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H9Cl2N3O/c16-11-5-1-9(2-6-11)13-18-14(20-15(21)19-13)10-3-7-12(17)8-4-10/h1-8H,(H,18,19,20,21)
InChIKeyIOOPJAOQXWQJLY-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.81
Rot. Bonds2

About 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one

4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one (PubChem CID 135472997) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one
PubChem CID135472997
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one
SMILESO=c1nc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H9Cl2N3O/c16-11-5-1-9(2-6-11)13-18-14(20-15(21)19-13)10-3-7-12(17)8-4-10/h1-8H,(H,18,19,20,21)
InChIKeyIOOPJAOQXWQJLY-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one?
The IUPAC name of 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one (CID 135472997) is 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one is O=c1nc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one?
The InChIKey is IOOPJAOQXWQJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-11-5-1-9(2-6-11)13-18-14(20-15(21)19-13)10-3-7-12(17)8-4-10/h1-8H,(H,18,19,20,21).
What are the key properties of 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one?
4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one has a molecular weight of 318.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-chlorophenyl)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135472997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).