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

C12H18N4O — CID 103219121

IUPAC4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
SMILESCCNc1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C12H18N4O/c1-4-14-10-7-11(17)16(15-8-10)6-5-12(2,3)9-13/h7-8,14H,4-6H2,1-3H3
InChIKeyBCGFXRHEFVVEAY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.61
Rot. Bonds5

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

4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 103219121) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
PubChem CID103219121
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
SMILESCCNc1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C12H18N4O/c1-4-14-10-7-11(17)16(15-8-10)6-5-12(2,3)9-13/h7-8,14H,4-6H2,1-3H3
InChIKeyBCGFXRHEFVVEAY-UHFFFAOYSA-N
XLogP1.61
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292
4-(4-Amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218325
5-(4-Amino-6-oxopyridazin-1-yl)pentanenitrile
CID 103218359
4-(4-Amino-6-oxopyridazin-1-yl)-2,2-dimethylbutanenitrile
CID 103218364
2-(4-Amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218401
2-[4-(Methylamino)-6-oxopyridazin-1-yl]acetonitrile
CID 103218454
5-(Methylamino)-2-(2-methylbutyl)pyridazin-3-one
CID 103218501
5-(Methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-Butyl-5-(methylamino)pyridazin-3-one
CID 103218555
2-(3,3-Dimethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218576
2-(2-Ethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218589
4-[4-(Methylamino)-6-oxopyridazin-1-yl]butanenitrile
CID 103218623

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile (CID 103219121) is 4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile is CCNc1cnn(CCC(C)(C)C#N)c(=O)c1.
What is the InChIKey of 4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is BCGFXRHEFVVEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-14-10-7-11(17)16(15-8-10)6-5-12(2,3)9-13/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 234.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 103219121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).