2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one

C14H16ClN3O — CID 82167988

IUPAC2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one
SMILESCCC(N)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H16ClN3O/c1-2-12(16)9-18-14(19)8-7-13(17-18)10-3-5-11(15)6-4-10/h3-8,12H,2,9,16H2,1H3
InChIKeyHVWSMAOYNUIGNP-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.30
Rot. Bonds4

About 2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one

2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one (PubChem CID 82167988) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one
PubChem CID82167988
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one
SMILESCCC(N)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H16ClN3O/c1-2-12(16)9-18-14(19)8-7-13(17-18)10-3-5-11(15)6-4-10/h3-8,12H,2,9,16H2,1H3
InChIKeyHVWSMAOYNUIGNP-UHFFFAOYSA-N
XLogP2.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminobutyl)-6-(4-chlorophenyl)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-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one
CID 82167975
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide
CID 121059131
(2S,3S)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 95394867
6-(4-aminophenyl)-2-ethylpyridazin-3-one
CID 82105433
ethyl 4-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanoyl]piperazine-1-carboxylate
CID 3236650
4-[1-[(4-chlorophenyl)methyl]-6-oxopyridazin-3-yl]benzamide
CID 148783053
2-[(3-aminophenyl)methyl]-6-(4-chlorophenyl)pyridazin-3-one
CID 59849727
6-(4-chlorophenyl)-2-pentan-2-ylpyridazin-3-one
CID 67658767
6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442349
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
2-(2-aminobutyl)pyridazin-3-one
CID 62850307
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one (CID 82167988) is 2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one is CCC(N)Cn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is HVWSMAOYNUIGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-12(16)9-18-14(19)8-7-13(17-18)10-3-5-11(15)6-4-10/h3-8,12H,2,9,16H2,1H3.
What are the key properties of 2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one?
2-(2-aminobutyl)-6-(4-chlorophenyl)pyridazin-3-one has a molecular weight of 277.76 g/mol, XLogP of 2.30, 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-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 82167988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).