6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one

C17H22FN3O — CID 69497893

IUPAC6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCNc1c(C)c(-c2ccc(F)c(C)c2)nn(CC(C)C)c1=O
InChIInChI=1S/C17H22FN3O/c1-10(2)9-21-17(22)16(19-5)12(4)15(20-21)13-6-7-14(18)11(3)8-13/h6-8,10,19H,9H2,1-5H3
InChIKeyHLJJALWYAPIHPK-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.36
Rot. Bonds4

About 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one

6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 69497893) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID69497893
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCNc1c(C)c(-c2ccc(F)c(C)c2)nn(CC(C)C)c1=O
InChIInChI=1S/C17H22FN3O/c1-10(2)9-21-17(22)16(19-5)12(4)15(20-21)13-6-7-14(18)11(3)8-13/h6-8,10,19H,9H2,1-5H3
InChIKeyHLJJALWYAPIHPK-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 69497893) is 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one is CNc1c(C)c(-c2ccc(F)c(C)c2)nn(CC(C)C)c1=O.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is HLJJALWYAPIHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-10(2)9-21-17(22)16(19-5)12(4)15(20-21)13-6-7-14(18)11(3)8-13/h6-8,10,19H,9H2,1-5H3.
What are the key properties of 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one?
6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 303.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 69497893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).