3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal

C11H15N3O2 — CID 114396007

IUPAC3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal
SMILESO=CCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c15-7-3-6-14-11(16)8-10(9-12-14)13-4-1-2-5-13/h7-9H,1-6H2
InChIKeyBUHPGENZSLKPDB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.43
Rot. Bonds4

About 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal

3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal (PubChem CID 114396007) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal.

Molecular Properties

Compound Name3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal
PubChem CID114396007
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal
SMILESO=CCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c15-7-3-6-14-11(16)8-10(9-12-14)13-4-1-2-5-13/h7-9H,1-6H2
InChIKeyBUHPGENZSLKPDB-UHFFFAOYSA-N
XLogP0.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal 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-Methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbaldehyde
CID 14969899
2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
methyl 3-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]propanoate
CID 30852551
Ethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
CID 114393819
2-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile
CID 114395623
2-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396006
2-(3-Oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-[4-(Dimethylamino)-6-oxopyridazin-1-yl]acetaldehyde
CID 114396039
3-[4-(Dimethylamino)-6-oxopyridazin-1-yl]propanal
CID 114396040
5-(Dimethylamino)-2-(3-oxobutyl)pyridazin-3-one
CID 114396087
3-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)propanal
CID 114396122
3-[4-[2-Methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396153

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal?
The IUPAC name of 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal (CID 114396007) is 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal.
What is the SMILES notation for 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal?
The canonical SMILES for 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal is O=CCCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal?
The InChIKey is BUHPGENZSLKPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-7-3-6-14-11(16)8-10(9-12-14)13-4-1-2-5-13/h7-9H,1-6H2.
What are the key properties of 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal?
3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal has a molecular weight of 221.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanal is sourced from PubChem (CID 114396007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).