2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one

C15H9Cl2N3O — CID 15521651

IUPAC2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one
SMILESO=c1nc(-c2ccccc2)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl2N3O/c16-11-6-12(17)8-13(7-11)20-15(21)19-14(9-18-20)10-4-2-1-3-5-10/h1-9H
InChIKeyVNWSWXFVKGUNMU-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.60
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one

2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one (PubChem CID 15521651) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one
PubChem CID15521651
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one
SMILESO=c1nc(-c2ccccc2)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl2N3O/c16-11-6-12(17)8-13(7-11)20-15(21)19-14(9-18-20)10-4-2-1-3-5-10/h1-9H
InChIKeyVNWSWXFVKGUNMU-UHFFFAOYSA-N
XLogP3.60
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one (CID 15521651) is 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one is O=c1nc(-c2ccccc2)cnn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one?
The InChIKey is VNWSWXFVKGUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-11-6-12(17)8-13(7-11)20-15(21)19-14(9-18-20)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one?
2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one has a molecular weight of 318.16 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-5-phenyl-1,2,4-triazin-3-one is sourced from PubChem (CID 15521651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).