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

C18H15FN2O — CID 20569973

IUPAC6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one
SMILESCc1cc(=O)n(C)nc1-c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O/c1-12-11-17(22)21(2)20-18(12)15-5-3-13(4-6-15)14-7-9-16(19)10-8-14/h3-11H,1-2H3
InChIKeyKTMSQIUDTAPUEC-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.56
Rot. Bonds2

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

6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one (PubChem CID 20569973) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one
PubChem CID20569973
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one
SMILESCc1cc(=O)n(C)nc1-c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O/c1-12-11-17(22)21(2)20-18(12)15-5-3-13(4-6-15)14-7-9-16(19)10-8-14/h3-11H,1-2H3
InChIKeyKTMSQIUDTAPUEC-UHFFFAOYSA-N
XLogP3.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-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]-2,5-dimethylpyridazin-3-one?
The IUPAC name of 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one (CID 20569973) is 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one.
What is the SMILES notation for 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one?
The canonical SMILES for 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one is Cc1cc(=O)n(C)nc1-c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one?
The InChIKey is KTMSQIUDTAPUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-12-11-17(22)21(2)20-18(12)15-5-3-13(4-6-15)14-7-9-16(19)10-8-14/h3-11H,1-2H3.
What are the key properties of 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one?
6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one has a molecular weight of 294.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)phenyl]-2,5-dimethylpyridazin-3-one is sourced from PubChem (CID 20569973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).