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

C14H22N4O — CID 106710316

IUPAC6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
SMILESCN(C)c1cnn(CCCCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C14H22N4O/c1-14(2,11-15)7-5-6-8-18-13(19)9-12(10-16-18)17(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAZZKNODYHXPYRU-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.03
Rot. Bonds6

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

6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile (PubChem CID 106710316) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
PubChem CID106710316
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
SMILESCN(C)c1cnn(CCCCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C14H22N4O/c1-14(2,11-15)7-5-6-8-18-13(19)9-12(10-16-18)17(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAZZKNODYHXPYRU-UHFFFAOYSA-N
XLogP2.03
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.03
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
2,2-Dimethyl-4-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103221650
4-[4-[2-Aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 103223472
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile
CID 106548668
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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile (CID 106710316) is 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile is CN(C)c1cnn(CCCCC(C)(C)C#N)c(=O)c1.
What is the InChIKey of 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
The InChIKey is AZZKNODYHXPYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,11-15)7-5-6-8-18-13(19)9-12(10-16-18)17(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile has a molecular weight of 262.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106710316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).