3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one

C15H8Cl2FN3O — CID 135516292

IUPAC3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1
InChIInChI=1S/C15H8Cl2FN3O/c16-9-3-6-11(12(17)7-9)14-19-15(22)13(20-21-14)8-1-4-10(18)5-2-8/h1-7H,(H,19,21,22)
InChIKeyYMADQHTVBBHDKT-UHFFFAOYSA-N
MW336.15 g/mol
LogP3.94
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one

3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one (PubChem CID 135516292) has the molecular formula C15H8Cl2FN3O and a molecular weight of 336.15 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one
PubChem CID135516292
Molecular FormulaC15H8Cl2FN3O
Molecular Weight336.15 g/mol
Exact Mass335.00
IUPAC Name3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1
InChIInChI=1S/C15H8Cl2FN3O/c16-9-3-6-11(12(17)7-9)14-19-15(22)13(20-21-14)8-1-4-10(18)5-2-8/h1-7H,(H,19,21,22)
InChIKeyYMADQHTVBBHDKT-UHFFFAOYSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one (CID 135516292) is 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one is O=c1[nH]c(-c2ccc(Cl)cc2Cl)nnc1-c1ccc(F)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one?
The InChIKey is YMADQHTVBBHDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN3O/c16-9-3-6-11(12(17)7-9)14-19-15(22)13(20-21-14)8-1-4-10(18)5-2-8/h1-7H,(H,19,21,22).
What are the key properties of 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one?
3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one has a molecular weight of 336.15 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135516292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).