3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one

C18H14N2O — CID 10956706

IUPAC3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one
SMILESO=c1cc(/C=C/c2ccccc2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H14N2O/c21-17-13-16(12-11-14-7-3-1-4-8-14)18(20-19-17)15-9-5-2-6-10-15/h1-13H,(H,19,21)/b12-11+
InChIKeyUUDLKKKQOGRVAI-VAWYXSNFSA-N
MW274.32 g/mol
LogP3.61
Rot. Bonds3

About 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one

3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one (PubChem CID 10956706) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one
PubChem CID10956706
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one
SMILESO=c1cc(/C=C/c2ccccc2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H14N2O/c21-17-13-16(12-11-14-7-3-1-4-8-14)18(20-19-17)15-9-5-2-6-10-15/h1-13H,(H,19,21)/b12-11+
InChIKeyUUDLKKKQOGRVAI-VAWYXSNFSA-N
XLogP3.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-diphenyl-1,2,4-triazin-3(2H)-one
CID 20601
2-chloro-N'-(diphenylmethylidene)acetohydrazide
CID 607111
4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-
CID 95757
Benzo(h)cinnolin-3(2H)-one, 5,6-dihydro-
CID 213230
3-Phenyl-6-pyridazone
CID 75106
6-(4-Methylphenyl)pyridazin-3-ol
CID 687205
2H,3H,5H-indeno(1,2-c)pyridazin-3-one
CID 100609
6-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyridazin-3-one
CID 5707079
6-(4-Fluorophenyl)pyridazin-3-ol
CID 4564862
4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
5-Chloro-6-phenylpyridazin-3-ol
CID 2735803
4,6-diphenylpyridazin-3(2H)-one
CID 5060259

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one (CID 10956706) is 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one is O=c1cc(/C=C/c2ccccc2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one?
The InChIKey is UUDLKKKQOGRVAI-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H14N2O/c21-17-13-16(12-11-14-7-3-1-4-8-14)18(20-19-17)15-9-5-2-6-10-15/h1-13H,(H,19,21)/b12-11+.
What are the key properties of 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one?
3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one has a molecular weight of 274.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-[(E)-2-phenylethenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 10956706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).