2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile

C11H16N4O — CID 103218680

IUPAC2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
SMILESCNc1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C11H16N4O/c1-11(2,8-12)4-5-15-10(16)6-9(13-3)7-14-15/h6-7,13H,4-5H2,1-3H3
InChIKeyKLABTHNFOANTQI-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.22
Rot. Bonds4

About 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile

2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile (PubChem CID 103218680) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
PubChem CID103218680
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
SMILESCNc1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C11H16N4O/c1-11(2,8-12)4-5-15-10(16)6-9(13-3)7-14-15/h6-7,13H,4-5H2,1-3H3
InChIKeyKLABTHNFOANTQI-UHFFFAOYSA-N
XLogP1.22
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.22
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 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile (CID 103218680) is 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile is CNc1cnn(CCC(C)(C)C#N)c(=O)c1.
What is the InChIKey of 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
The InChIKey is KLABTHNFOANTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(2,8-12)4-5-15-10(16)6-9(13-3)7-14-15/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile has a molecular weight of 220.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile is sourced from PubChem (CID 103218680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).