2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one

C16H21N3O — CID 82167975

IUPAC2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one
SMILESCCC(N)Cn1nc(-c2ccc(C)cc2C)ccc1=O
InChIInChI=1S/C16H21N3O/c1-4-13(17)10-19-16(20)8-7-15(18-19)14-6-5-11(2)9-12(14)3/h5-9,13H,4,10,17H2,1-3H3
InChIKeyIVHXTQIXMORHJH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one

2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one (PubChem CID 82167975) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one
PubChem CID82167975
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one
SMILESCCC(N)Cn1nc(-c2ccc(C)cc2C)ccc1=O
InChIInChI=1S/C16H21N3O/c1-4-13(17)10-19-16(20)8-7-15(18-19)14-6-5-11(2)9-12(14)3/h5-9,13H,4,10,17H2,1-3H3
InChIKeyIVHXTQIXMORHJH-UHFFFAOYSA-N
XLogP2.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)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

ethyl (2S)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7665828
6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 7666040
2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one
CID 82167988
4-amino-6-(2,4-dimethylphenyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82467643
2-[2-(diethylamino)ethyl]-6-(2,5-dimethylphenyl)pyridazin-3-one
CID 7672173
ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671911
methyl (2S)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7672051
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium
CID 7672172
6-[amino-(2,4-dimethylphenyl)methyl]-2-ethylpyridazin-3-one
CID 82442184
N-(3-acetylphenyl)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665990
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
CID 82444815
2-(2-aminobutyl)pyridazin-3-one
CID 62850307

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one?
The IUPAC name of 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one (CID 82167975) is 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one is CCC(N)Cn1nc(-c2ccc(C)cc2C)ccc1=O.
What is the InChIKey of 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one?
The InChIKey is IVHXTQIXMORHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-13(17)10-19-16(20)8-7-15(18-19)14-6-5-11(2)9-12(14)3/h5-9,13H,4,10,17H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one?
2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 82167975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).