2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile

C17H19N3O — CID 82447059

IUPAC2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile
SMILESCCCCn1nc(-c2ccc(CC)cc2)cc(C#N)c1=O
InChIInChI=1S/C17H19N3O/c1-3-5-10-20-17(21)15(12-18)11-16(19-20)14-8-6-13(4-2)7-9-14/h6-9,11H,3-5,10H2,1-2H3
InChIKeySNTLPEDFJOXLFG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.14
Rot. Bonds5

About 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile

2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile (PubChem CID 82447059) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile
PubChem CID82447059
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile
SMILESCCCCn1nc(-c2ccc(CC)cc2)cc(C#N)c1=O
InChIInChI=1S/C17H19N3O/c1-3-5-10-20-17(21)15(12-18)11-16(19-20)14-8-6-13(4-2)7-9-14/h6-9,11H,3-5,10H2,1-2H3
InChIKeySNTLPEDFJOXLFG-UHFFFAOYSA-N
XLogP3.14
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447088
6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile
CID 82447292
6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446730
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
2-butyl-3-oxo-6-thiophen-2-ylpyridazine-4-carbonitrile
CID 82447208
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile
CID 82445144
2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82443798
6-(2,5-dimethylphenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446704
2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447051
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
2-butyl-6-(4-methoxyphenyl)-4-(sulfanylmethyl)pyridazin-3-one
CID 82447182

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile (CID 82447059) is 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile is CCCCn1nc(-c2ccc(CC)cc2)cc(C#N)c1=O.
What is the InChIKey of 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile?
The InChIKey is SNTLPEDFJOXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-5-10-20-17(21)15(12-18)11-16(19-20)14-8-6-13(4-2)7-9-14/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile?
2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 82447059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).