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

C13H11N3O2 — CID 82444298

IUPAC6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(=O)n(C)n2)cc1
InChIInChI=1S/C13H11N3O2/c1-16-13(17)10(8-14)7-12(15-16)9-3-5-11(18-2)6-4-9/h3-7H,1-2H3
InChIKeyZIGBCGKTZMEHHU-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.33
Rot. Bonds2

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

6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile (PubChem CID 82444298) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
PubChem CID82444298
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(=O)n(C)n2)cc1
InChIInChI=1S/C13H11N3O2/c1-16-13(17)10(8-14)7-12(15-16)9-3-5-11(18-2)6-4-9/h3-7H,1-2H3
InChIKeyZIGBCGKTZMEHHU-UHFFFAOYSA-N
XLogP1.33
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82443798
6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444439
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444299
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444310
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile
CID 82445144
6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444307
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446730

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile (CID 82444298) is 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile is COc1ccc(-c2cc(C#N)c(=O)n(C)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is ZIGBCGKTZMEHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-16-13(17)10(8-14)7-12(15-16)9-3-5-11(18-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile?
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 82444298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).