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

C14H22N4O — CID 106714920

IUPAC6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
SMILESCCNc1cnn(CCCCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C14H22N4O/c1-4-16-12-9-13(19)18(17-10-12)8-6-5-7-14(2,3)11-15/h9-10,16H,4-8H2,1-3H3
InChIKeyQHZZYEOIWFEADX-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.40
Rot. Bonds7

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

6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile (PubChem CID 106714920) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
PubChem CID106714920
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile
SMILESCCNc1cnn(CCCCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C14H22N4O/c1-4-16-12-9-13(19)18(17-10-12)8-6-5-7-14(2,3)11-15/h9-10,16H,4-8H2,1-3H3
InChIKeyQHZZYEOIWFEADX-UHFFFAOYSA-N
XLogP2.40
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292
5-(4-Amino-6-oxopyridazin-1-yl)pentanenitrile
CID 103218359
4-(4-Amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
CID 103218364
5-Amino-2-(4-methylpentyl)pyridazin-3-one
CID 103218377
5-Amino-2-(2-methylpentyl)pyridazin-3-one
CID 103218396
2-Heptyl-5-(methylamino)pyridazin-3-one
CID 103218448
2-Hexyl-5-(methylamino)pyridazin-3-one
CID 103218449
2-(Cyclopentylmethyl)-5-(methylamino)pyridazin-3-one
CID 103218569
2-(3,3-Dimethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218576
4-[4-(Methylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103218623
5-(Methylamino)-2-pentylpyridazin-3-one
CID 103218631
5-[4-(Methylamino)-6-oxopyridazin-1-yl]pentanenitrile
CID 103218672

Frequently Asked Questions

What is the IUPAC name of 6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile (CID 106714920) is 6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile is CCNc1cnn(CCCCC(C)(C)C#N)c(=O)c1.
What is the InChIKey of 6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
The InChIKey is QHZZYEOIWFEADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-16-12-9-13(19)18(17-10-12)8-6-5-7-14(2,3)11-15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile?
6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile has a molecular weight of 262.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106714920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).