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

C12H20N4O — CID 114394517

IUPAC2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCNCCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H20N4O/c1-13-5-4-8-16-12(17)9-11(10-14-16)15-6-2-3-7-15/h9-10,13H,2-8H2,1H3
InChIKeyQEXXJEZNRZUDBZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.45
Rot. Bonds5

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

2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114394517) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114394517
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCNCCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H20N4O/c1-13-5-4-8-16-12(17)9-11(10-14-16)15-6-2-3-7-15/h9-10,13H,2-8H2,1H3
InChIKeyQEXXJEZNRZUDBZ-UHFFFAOYSA-N
XLogP0.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[2-(2-methylbutan-2-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397416
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394656
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
2-(4-chlorobutyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394284
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791
2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397411
5-(4-methylpiperazin-1-yl)-2-(5-oxohexyl)pyridazin-3-one
CID 114396148

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 114394517) is 2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one is CNCCCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is QEXXJEZNRZUDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-5-4-8-16-12(17)9-11(10-14-16)15-6-2-3-7-15/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 236.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114394517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).