2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile

C13H11N3O — CID 82443798

IUPAC2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(=O)n(C)n2)cc1
InChIInChI=1S/C13H11N3O/c1-9-3-5-10(6-4-9)12-7-11(8-14)13(17)16(2)15-12/h3-7H,1-2H3
InChIKeyYSJLCXDOTHPFAS-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.63
Rot. Bonds1

About 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile

2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile (PubChem CID 82443798) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile
PubChem CID82443798
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile
SMILESCc1ccc(-c2cc(C#N)c(=O)n(C)n2)cc1
InChIInChI=1S/C13H11N3O/c1-9-3-5-10(6-4-9)12-7-11(8-14)13(17)16(2)15-12/h3-7H,1-2H3
InChIKeyYSJLCXDOTHPFAS-UHFFFAOYSA-N
XLogP1.63
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444439
2-methyl-4-(methylaminomethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82443800
1,5-dimethyl-3-(4-methylphenyl)pyrazole
CID 10679126
2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carbonitrile
CID 82444286
6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446730
2-methyl-6-(4-methylphenyl)pyridazin-3-one
CID 7027991
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447059
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447088
2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
6-(2,5-dimethylphenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446704

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile (CID 82443798) is 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile is Cc1ccc(-c2cc(C#N)c(=O)n(C)n2)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile?
The InChIKey is YSJLCXDOTHPFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-3-5-10(6-4-9)12-7-11(8-14)13(17)16(2)15-12/h3-7H,1-2H3.
What are the key properties of 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile?
2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 82443798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).