6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one

C16H19FN2O — CID 141096016

IUPAC6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1cc(-c2cc(C)c(=O)n(CC(C)C)n2)ccc1F
InChIInChI=1S/C16H19FN2O/c1-10(2)9-19-16(20)12(4)8-15(18-19)13-5-6-14(17)11(3)7-13/h5-8,10H,9H2,1-4H3
InChIKeyYCELCTYOEINCDE-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.32
Rot. Bonds3

About 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one

6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 141096016) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one
PubChem CID141096016
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1cc(-c2cc(C)c(=O)n(CC(C)C)n2)ccc1F
InChIInChI=1S/C16H19FN2O/c1-10(2)9-19-16(20)12(4)8-15(18-19)13-5-6-14(17)11(3)7-13/h5-8,10H,9H2,1-4H3
InChIKeyYCELCTYOEINCDE-UHFFFAOYSA-N
XLogP3.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-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-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one (CID 141096016) is 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one is Cc1cc(-c2cc(C)c(=O)n(CC(C)C)n2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is YCELCTYOEINCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10(2)9-19-16(20)12(4)8-15(18-19)13-5-6-14(17)11(3)7-13/h5-8,10H,9H2,1-4H3.
What are the key properties of 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one?
6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 274.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 141096016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).