2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile

C16H24N4O — CID 106710315

IUPAC2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile
SMILESCC(C)(C#N)CCCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C16H24N4O/c1-16(2,13-17)7-3-4-10-20-15(21)11-14(12-18-20)19-8-5-6-9-19/h11-12H,3-10H2,1-2H3
InChIKeyJLHAESSBXFBFGQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.56
Rot. Bonds6

About 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile

2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile (PubChem CID 106710315) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile
PubChem CID106710315
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile
SMILESCC(C)(C#N)CCCCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C16H24N4O/c1-16(2,13-17)7-3-4-10-20-15(21)11-14(12-18-20)19-8-5-6-9-19/h11-12H,3-10H2,1-2H3
InChIKeyJLHAESSBXFBFGQ-UHFFFAOYSA-N
XLogP2.56
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-Amino-5,5-dimethylhexyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 106708466
2-(6-Amino-5,5-dimethylhexyl)-5-(dimethylamino)pyridazin-3-one
CID 106708467
2-(6-Amino-5,5-dimethylhexyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 106708468
2-(6-Amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one
CID 106708469
2-(6-Amino-5,5-dimethylhexyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 106708470
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
6-(4-Amino-6-oxopyridazin-1-yl)-2,2-dimethylhexanenitrile
CID 106714918
2,2-Dimethyl-6-[4-(methylamino)-6-oxopyridazin-1-yl]hexanenitrile
CID 106714919
6-[4-(Ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
CID 106714920

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile (CID 106710315) is 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile is CC(C)(C#N)CCCCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile?
The InChIKey is JLHAESSBXFBFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2,13-17)7-3-4-10-20-15(21)11-14(12-18-20)19-8-5-6-9-19/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile?
2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile has a molecular weight of 288.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile is sourced from PubChem (CID 106710315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).