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

C17H19N3O — CID 82447292

IUPAC6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile
SMILESCCc1ccc(-c2cc(C#N)c(=O)n(CC(C)C)n2)cc1
InChIInChI=1S/C17H19N3O/c1-4-13-5-7-14(8-6-13)16-9-15(10-18)17(21)20(19-16)11-12(2)3/h5-9,12H,4,11H2,1-3H3
InChIKeyBKRZXTMFSVTTDO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.00
Rot. Bonds4

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

6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile (PubChem CID 82447292) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile
PubChem CID82447292
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile
SMILESCCc1ccc(-c2cc(C#N)c(=O)n(CC(C)C)n2)cc1
InChIInChI=1S/C17H19N3O/c1-4-13-5-7-14(8-6-13)16-9-15(10-18)17(21)20(19-16)11-12(2)3/h5-9,12H,4,11H2,1-3H3
InChIKeyBKRZXTMFSVTTDO-UHFFFAOYSA-N
XLogP3.00
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447059
4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467609
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile
CID 82445144
6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446730
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
CID 82446579
2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447088
2-methyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82443798
N-(5-chloro-2-cyanophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050897
6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447368
6-(4-ethylphenyl)-2-methylpyridine-3-carbonitrile
CID 82452489
[4-[5-[(dimethylamino)methyl]-1-(2-methylpropyl)-6-oxopyridazin-3-yl]phenyl]methanesulfinate
CID 174449639

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile (CID 82447292) is 6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile is CCc1ccc(-c2cc(C#N)c(=O)n(CC(C)C)n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile?
The InChIKey is BKRZXTMFSVTTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-13-5-7-14(8-6-13)16-9-15(10-18)17(21)20(19-16)11-12(2)3/h5-9,12H,4,11H2,1-3H3.
What are the key properties of 6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile?
6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 82447292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).