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

C11H14N4O — CID 114395619

IUPAC3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile
SMILESN#CCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H14N4O/c12-4-3-7-15-11(16)8-10(9-13-15)14-5-1-2-6-14/h8-9H,1-3,5-7H2
InChIKeyXIVXOSXJBQGZJV-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.76
Rot. Bonds3

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

3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile (PubChem CID 114395619) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile
PubChem CID114395619
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile
SMILESN#CCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H14N4O/c12-4-3-7-15-11(16)8-10(9-13-15)14-5-1-2-6-14/h8-9H,1-3,5-7H2
InChIKeyXIVXOSXJBQGZJV-UHFFFAOYSA-N
XLogP0.76
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-difluoroethyl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30937350
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3(2H)-one
CID 72868732
2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72895285
3,3,3-Trifluoro-2-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]propanenitrile
CID 103368204
Trifluoro-[3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746468
Trifluoro-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]boranuide
CID 114398748
2-Methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile
CID 46848988
2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
2-(2-chloro-2-propen-1-yl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30897844
5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3(2H)-one
CID 72846983
5-(dimethylamino)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188706

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile?
The IUPAC name of 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile (CID 114395619) is 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile.
What is the SMILES notation for 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile?
The canonical SMILES for 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile is N#CCCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile?
The InChIKey is XIVXOSXJBQGZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-4-3-7-15-11(16)8-10(9-13-15)14-5-1-2-6-14/h8-9H,1-3,5-7H2.
What are the key properties of 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile?
3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile has a molecular weight of 218.26 g/mol, XLogP of 0.76, 3 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)propanenitrile is sourced from PubChem (CID 114395619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).