5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one

C13H19N3O2 — CID 114396319

IUPAC5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C13H19N3O2/c1-10-4-3-5-15(8-10)12-6-13(18)16(14-7-12)9-11(2)17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZVRVRSQPZPLHDV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.07
Rot. Bonds3

About 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one

5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 114396319) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
PubChem CID114396319
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C13H19N3O2/c1-10-4-3-5-15(8-10)12-6-13(18)16(14-7-12)9-11(2)17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZVRVRSQPZPLHDV-UHFFFAOYSA-N
XLogP1.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)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

5-(3-methylpiperidin-1-yl)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
CID 103074106
3-hydroxy-4-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]butanoic acid
CID 114394160
2-amino-3-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394158
2-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetonitrile
CID 114395748
2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114396727
2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 104920926
2-(2-hydroxypentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114397165
2-(5-bromo-3-methylpentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114394465
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395377
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395614
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one (CID 114396319) is 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one is CC(=O)Cn1ncc(N2CCCC(C)C2)cc1=O.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is ZVRVRSQPZPLHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-4-3-5-15(8-10)12-6-13(18)16(14-7-12)9-11(2)17/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one?
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 114396319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).