6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one

C17H15FN2O — CID 20569956

IUPAC6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(c2ccc(-c3ccc(F)cc3)cc2)CCC1=O
InChIInChI=1S/C17H15FN2O/c1-20-17(21)11-10-16(19-20)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-9H,10-11H2,1H3
InChIKeyVNBQEWVPYWDAQT-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.45
Rot. Bonds2

About 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 20569956) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID20569956
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(c2ccc(-c3ccc(F)cc3)cc2)CCC1=O
InChIInChI=1S/C17H15FN2O/c1-20-17(21)11-10-16(19-20)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-9H,10-11H2,1H3
InChIKeyVNBQEWVPYWDAQT-UHFFFAOYSA-N
XLogP3.45
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-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 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 20569956) is 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(c2ccc(-c3ccc(F)cc3)cc2)CCC1=O.
What is the InChIKey of 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is VNBQEWVPYWDAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-20-17(21)11-10-16(19-20)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 282.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)phenyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 20569956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).