2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile

C15H22N4O — CID 114395665

IUPAC2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile
SMILESCC(C)(C#N)CCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H22N4O/c1-15(2,12-16)6-9-19-14(20)10-13(11-17-19)18-7-4-3-5-8-18/h10-11H,3-9H2,1-2H3
InChIKeyVHESODQOSFHXAN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.17
Rot. Bonds4

About 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile

2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile (PubChem CID 114395665) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile
PubChem CID114395665
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile
SMILESCC(C)(C#N)CCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H22N4O/c1-15(2,12-16)6-9-19-14(20)10-13(11-17-19)18-7-4-3-5-8-18/h10-11H,3-9H2,1-2H3
InChIKeyVHESODQOSFHXAN-UHFFFAOYSA-N
XLogP2.17
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
3,3,3-Trifluoro-2-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]propanenitrile
CID 103368206
2-(cyclobutylmethyl)-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 56913098
4-(4-Amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
CID 103218364
2,2-Dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103218680
4-[4-(Ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 103219121
4-[4-[2-Aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 103223472
2,2-Dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile
CID 106710315
6-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
CID 106710316
6-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
CID 106710317
6-[4-(Diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
CID 106710318
2,2-Dimethyl-6-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]hexanenitrile
CID 106710319

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile (CID 114395665) is 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile is CC(C)(C#N)CCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile?
The InChIKey is VHESODQOSFHXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,12-16)6-9-19-14(20)10-13(11-17-19)18-7-4-3-5-8-18/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile?
2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile has a molecular weight of 274.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)butanenitrile is sourced from PubChem (CID 114395665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).