6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile

C16H26N4O — CID 106710318

IUPAC6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
SMILESCCN(CC)c1cnn(CCCCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C16H26N4O/c1-5-19(6-2)14-11-15(21)20(18-12-14)10-8-7-9-16(3,4)13-17/h11-12H,5-10H2,1-4H3
InChIKeyUAPCJNYWNQWMRO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.81
Rot. Bonds8

About 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile

6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile (PubChem CID 106710318) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
PubChem CID106710318
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
SMILESCCN(CC)c1cnn(CCCCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C16H26N4O/c1-5-19(6-2)14-11-15(21)20(18-12-14)10-8-7-9-16(3,4)13-17/h11-12H,5-10H2,1-4H3
InChIKeyUAPCJNYWNQWMRO-UHFFFAOYSA-N
XLogP2.81
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.81
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

5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
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-(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
2,2-Dimethyl-6-(6-oxopyridazin-1-yl)hexanenitrile
CID 106710234
2,2-Dimethyl-6-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)hexanenitrile
CID 106710315

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile (CID 106710318) is 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile is CCN(CC)c1cnn(CCCCC(C)(C)C#N)c(=O)c1.
What is the InChIKey of 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
The InChIKey is UAPCJNYWNQWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-19(6-2)14-11-15(21)20(18-12-14)10-8-7-9-16(3,4)13-17/h11-12H,5-10H2,1-4H3.
What are the key properties of 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile has a molecular weight of 290.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106710318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).