6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one

C15H18FN3O — CID 82444010

IUPAC6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(-c2ccc(F)cc2)nn(C)c1=O
InChIInChI=1S/C15H18FN3O/c1-3-8-17-10-12-9-14(18-19(2)15(12)20)11-4-6-13(16)7-5-11/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyYYGFKZWVFDGGFH-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.09
Rot. Bonds5

About 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one

6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one (PubChem CID 82444010) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
PubChem CID82444010
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(-c2ccc(F)cc2)nn(C)c1=O
InChIInChI=1S/C15H18FN3O/c1-3-8-17-10-12-9-14(18-19(2)15(12)20)11-4-6-13(16)7-5-11/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyYYGFKZWVFDGGFH-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)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

Related Compounds

2-methyl-6-(4-methylphenyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82443803
4-(butylaminomethyl)-6-(3,4-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443929
4-(ethylaminomethyl)-6-(4-ethylphenyl)-2-methylpyridazin-3-one
CID 82443838
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82443800
6-(3,4-dimethylphenyl)-4-[(2-methoxyethylamino)methyl]-2-methylpyridazin-3-one
CID 82443932
6-(4-chlorophenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444050
6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
CID 82444331
4-(butylaminomethyl)-6-(2,5-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443960
6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446742
4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444034

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one (CID 82444010) is 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one is CCCNCc1cc(-c2ccc(F)cc2)nn(C)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one?
The InChIKey is YYGFKZWVFDGGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-8-17-10-12-9-14(18-19(2)15(12)20)11-4-6-13(16)7-5-11/h4-7,9,17H,3,8,10H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one?
6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one has a molecular weight of 275.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 82444010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).