2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile

C11H15N3O — CID 106548685

IUPAC2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile
SMILESCc1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C11H15N3O/c1-9-6-10(15)14(13-7-9)5-4-11(2,3)8-12/h6-7H,4-5H2,1-3H3
InChIKeyLISGJHVNLAVCHW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.49
Rot. Bonds3

About 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile

2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile (PubChem CID 106548685) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile
PubChem CID106548685
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile
SMILESCc1cnn(CCC(C)(C)C#N)c(=O)c1
InChIInChI=1S/C11H15N3O/c1-9-6-10(15)14(13-7-9)5-4-11(2,3)8-12/h6-7H,4-5H2,1-3H3
InChIKeyLISGJHVNLAVCHW-UHFFFAOYSA-N
XLogP1.49
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile
CID 65257208
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
2-(3,3-Dimethylbutyl)-5-methyl-3-oxopyridazine-4-carbonitrile
CID 143774232
2,2-Dimethyl-4-(6-oxopyridazin-1-yl)butanenitrile
CID 65256913
2-[1-[(6-Oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65492606
2-(4-Methyl-6-oxopyridazin-1-yl)acetonitrile
CID 84103793
2-(1-Ethyl-6-oxopyridazin-4-yl)acetonitrile
CID 84764612
2-(4-Amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
CID 106548356
3-(4-Methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548665
5-(4-Methyl-6-oxopyridazin-1-yl)pentanenitrile
CID 106548667
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanenitrile
CID 106548668
4-(4-Methyl-6-oxopyridazin-1-yl)butanenitrile
CID 106548681

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile (CID 106548685) is 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile is Cc1cnn(CCC(C)(C)C#N)c(=O)c1.
What is the InChIKey of 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile?
The InChIKey is LISGJHVNLAVCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-6-10(15)14(13-7-9)5-4-11(2,3)8-12/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile?
2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanenitrile is sourced from PubChem (CID 106548685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).