6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile

C20H12N4O — CID 14381173

IUPAC6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(=O)c(C#N)c1/C=C/c1ccccc1
InChIInChI=1S/C20H12N4O/c21-13-18-17(12-11-15-7-3-1-4-8-15)19(14-22)23-24(20(18)25)16-9-5-2-6-10-16/h1-12H/b12-11+
InChIKeyHFNROVFVICCFIM-VAWYXSNFSA-N
MW324.34 g/mol
LogP3.15
Rot. Bonds3

About 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile

6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile (PubChem CID 14381173) has the molecular formula C20H12N4O and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile.

Molecular Properties

Compound Name6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile
PubChem CID14381173
Molecular FormulaC20H12N4O
Molecular Weight324.34 g/mol
Exact Mass324.10
IUPAC Name6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(=O)c(C#N)c1/C=C/c1ccccc1
InChIInChI=1S/C20H12N4O/c21-13-18-17(12-11-15-7-3-1-4-8-15)19(14-22)23-24(20(18)25)16-9-5-2-6-10-16/h1-12H/b12-11+
InChIKeyHFNROVFVICCFIM-VAWYXSNFSA-N
XLogP3.15
TPSA82.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_F(3)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-5-cyano-6-oxo-4-(2-phenylethenyl)pyridazine-3-carbohydrazide
CID 4284275
4-[(Z)-2-(2-chlorophenyl)ethenyl]-5-cyano-6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 126202121
5-cyano-4-[(Z)-2-(4-fluorophenyl)ethenyl]-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 126213193
1-(4-chlorophenyl)-5-cyano-4-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-6-oxopyridazine-3-carboxylic acid
CID 126211328
4-[(Z)-2-(3-bromophenyl)ethenyl]-5-cyano-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 126202814
4-[(Z)-2-(3-bromophenyl)ethenyl]-1-(4-chlorophenyl)-5-cyano-6-oxopyridazine-3-carboxylic acid
CID 126210492
5-cyano-1-(4-methoxyphenyl)-4-[(Z)-2-(4-nitrophenyl)ethenyl]-6-oxopyridazine-3-carboxylic acid
CID 126208307
5-cyano-1-(4-fluorophenyl)-4-[(Z)-2-(4-methoxycarbonylphenyl)ethenyl]-6-oxopyridazine-3-carboxylic acid
CID 126208321
5-cyano-1-(2-methylphenyl)-4-[(Z)-2-(4-nitrophenyl)ethenyl]-6-oxopyridazine-3-carboxylic acid
CID 126199386
6-ethylsulfonyl-5-methyl-3-oxo-2-phenylpyridazine-4-carbonitrile
CID 22112754
5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(2-nitrophenyl)ethenyl]-6-oxopyridazine-3-carboxylic acid
CID 126212956
4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile
CID 1473632

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile?
The IUPAC name of 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile (CID 14381173) is 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile.
What is the SMILES notation for 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile?
The canonical SMILES for 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile is N#Cc1nn(-c2ccccc2)c(=O)c(C#N)c1/C=C/c1ccccc1.
What is the InChIKey of 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile?
The InChIKey is HFNROVFVICCFIM-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H12N4O/c21-13-18-17(12-11-15-7-3-1-4-8-15)19(14-22)23-24(20(18)25)16-9-5-2-6-10-16/h1-12H/b12-11+.
What are the key properties of 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile?
6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile has a molecular weight of 324.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-phenyl-4-[(E)-2-phenylethenyl]pyridazine-3,5-dicarbonitrile is sourced from PubChem (CID 14381173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).