3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile

C8H9N3O — CID 106548665

IUPAC3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
SMILESCc1cnn(CCC#N)c(=O)c1
InChIInChI=1S/C8H9N3O/c1-7-5-8(12)11(10-6-7)4-2-3-9/h5-6H,2,4H2,1H3
InChIKeyWVJPXPJVWAGNAQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.47
Rot. Bonds2

About 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile

3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile (PubChem CID 106548665) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
PubChem CID106548665
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
SMILESCc1cnn(CCC#N)c(=O)c1
InChIInChI=1S/C8H9N3O/c1-7-5-8(12)11(10-6-7)4-2-3-9/h5-6H,2,4H2,1H3
InChIKeyWVJPXPJVWAGNAQ-UHFFFAOYSA-N
XLogP0.47
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548689
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
2-(2-aminooxyethyl)-5-methylpyridazin-3-one
CID 131207528
2-(3-hydroxybutyl)-5-methylpyridazin-3-one
CID 106548855
2-(5-chloro-3-methylpentyl)-5-methylpyridazin-3-one
CID 106548483
5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one
CID 106548736
5-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 106549124
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzonitrile
CID 106548669
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926
4-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]butanenitrile
CID 114395673
3-(4-formyl-5-methylpyrazol-1-yl)propanenitrile
CID 60866319

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile?
The IUPAC name of 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile (CID 106548665) is 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile is Cc1cnn(CCC#N)c(=O)c1.
What is the InChIKey of 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile?
The InChIKey is WVJPXPJVWAGNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-7-5-8(12)11(10-6-7)4-2-3-9/h5-6H,2,4H2,1H3.
What are the key properties of 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile?
3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile has a molecular weight of 163.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile is sourced from PubChem (CID 106548665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).