2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile

C10H12N4O — CID 114395623

IUPAC2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H12N4O/c11-3-6-14-10(15)7-9(8-12-14)13-4-1-2-5-13/h7-8H,1-2,4-6H2
InChIKeySRUKEFAFMONFII-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.37
Rot. Bonds2

About 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile

2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile (PubChem CID 114395623) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile
PubChem CID114395623
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C10H12N4O/c11-3-6-14-10(15)7-9(8-12-14)13-4-1-2-5-13/h7-8H,1-2,4-6H2
InChIKeySRUKEFAFMONFII-UHFFFAOYSA-N
XLogP0.37
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.37
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-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
5-(Dimethylamino)-2-ethylpyridazin-3-one
CID 167137562
2-[2-(2,5-Dihydropyrrol-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 28097404
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

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile?
The IUPAC name of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile (CID 114395623) is 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile?
The canonical SMILES for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile is N#CCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile?
The InChIKey is SRUKEFAFMONFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-3-6-14-10(15)7-9(8-12-14)13-4-1-2-5-13/h7-8H,1-2,4-6H2.
What are the key properties of 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile?
2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetonitrile is sourced from PubChem (CID 114395623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).