3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile

C14H13N3O — CID 82446579

IUPAC3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
SMILESCCCn1nc(-c2ccccc2)cc(C#N)c1=O
InChIInChI=1S/C14H13N3O/c1-2-8-17-14(18)12(10-15)9-13(16-17)11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3
InChIKeyYHHJJKREKMOWPP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.19
Rot. Bonds3

About 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile

3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile (PubChem CID 82446579) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
PubChem CID82446579
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile
SMILESCCCn1nc(-c2ccccc2)cc(C#N)c1=O
InChIInChI=1S/C14H13N3O/c1-2-8-17-14(18)12(10-15)9-13(16-17)11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3
InChIKeyYHHJJKREKMOWPP-UHFFFAOYSA-N
XLogP2.19
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446730
2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447059
6-(2,5-dimethylphenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446704
2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447088
4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
CID 82446598
2-butyl-3-oxo-6-thiophen-2-ylpyridazine-4-carbonitrile
CID 82447208
2-[6-(4-nitrophenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446948
6-(4-ethylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile
CID 82447292
2-[6-(3-methoxyphenyl)-3-oxo-2-propylpyridazin-4-yl]acetonitrile
CID 82446816
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carbonitrile
CID 82445144
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587

Frequently Asked Questions

What is the IUPAC name of 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile?
The IUPAC name of 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile (CID 82446579) is 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile?
The canonical SMILES for 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile is CCCn1nc(-c2ccccc2)cc(C#N)c1=O.
What is the InChIKey of 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile?
The InChIKey is YHHJJKREKMOWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-8-17-14(18)12(10-15)9-13(16-17)11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3.
What are the key properties of 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile?
3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-6-phenyl-2-propylpyridazine-4-carbonitrile is sourced from PubChem (CID 82446579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).