2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one

C13H22N4O — CID 114394668

IUPAC2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCNC(C)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H22N4O/c1-11(14-2)10-17-13(18)8-12(9-15-17)16-6-4-3-5-7-16/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyPBPHDFJPTSUKJE-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114394668) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID114394668
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCNC(C)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H22N4O/c1-11(14-2)10-17-13(18)8-12(9-15-17)16-6-4-3-5-7-16/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyPBPHDFJPTSUKJE-UHFFFAOYSA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-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-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791
2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394713
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 107506432
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397054
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396351
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-[2-(methylamino)pentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394736

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one (CID 114394668) is 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one is CNC(C)Cn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is PBPHDFJPTSUKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(14-2)10-17-13(18)8-12(9-15-17)16-6-4-3-5-7-16/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 250.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114394668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).