2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile

C10H12N4O — CID 46848988

IUPAC2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile
SMILESCn1ncc(N2CCCC2)c(C#N)c1=O
InChIInChI=1S/C10H12N4O/c1-13-10(15)8(6-11)9(7-12-13)14-4-2-3-5-14/h7H,2-5H2,1H3
InChIKeyGSPHCCYTTUBLSV-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.25
Rot. Bonds1

About 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile

2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile (PubChem CID 46848988) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile
PubChem CID46848988
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile
SMILESCn1ncc(N2CCCC2)c(C#N)c1=O
InChIInChI=1S/C10H12N4O/c1-13-10(15)8(6-11)9(7-12-13)14-4-2-3-5-14/h7H,2-5H2,1H3
InChIKeyGSPHCCYTTUBLSV-UHFFFAOYSA-N
XLogP0.25
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Aminomethyl)-2-methyl-5-(pyrrolidin-1-yl)pyridazin-3(2h)-one
CID 46848991
4-[(3S)-3-fluoropyrrolidin-1-yl]-6-oxo-1H-pyridazine-5-carbonitrile
CID 173948743
6-oxo-4-pyrrolidin-1-yl-1H-pyridazine-5-carbonitrile
CID 173954159
2-(2-Hydroxyethyl)-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile
CID 173954172
2-Methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile
CID 113579522
3-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanenitrile
CID 114395619
4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 135937033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile?
The IUPAC name of 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile (CID 46848988) is 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile.
What is the SMILES notation for 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile?
The canonical SMILES for 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile is Cn1ncc(N2CCCC2)c(C#N)c1=O.
What is the InChIKey of 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile?
The InChIKey is GSPHCCYTTUBLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13-10(15)8(6-11)9(7-12-13)14-4-2-3-5-14/h7H,2-5H2,1H3.
What are the key properties of 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile?
2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile is sourced from PubChem (CID 46848988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).