5,6-Diphenyl-4,5-dihydropyridazin-3(2h)-one

HCID 237489

Notes Reactions

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Basic information

CAS: 1028-70-2
Standard SMILES: O=C1CC(c2ccccc2)C(c2ccccc2)=NN1
InChIKey: YZDSSUWVMLXWOZ-UHFFFAOYSA-N
Molecular formula: C16H14N2O
Average molar mass: 250.29 g/mol
Monoisotopic mass: 250.11061307

Names & identifiers

Preferred name: 5,6-Diphenyl-4,5-dihydropyridazin-3(2h)-one
IUPAC: 3,4-diphenyl-4,5-dihydro-1H-pyridazin-6-one

Names & synonyms

MLS0026082921028-70-25,6-diphenyl-4,5-dihydropyridazin-3(2h)-oneNSC410964,5-dihydro-5,6-diphenyl-3(2H)-pyridazinoneSCHEMBL8871280CHEMBL3189062DTXSID70285221YZDSSUWVMLXWOZ-UHFFFAOYSA-NHMS3078P12NSC-41096SMR001527043

Database identifiers

CAS: 1028-70-2
PubChem CID: 237489
DTXSID: DTXSID70285221
ChEMBL: CHEMBL3189062

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 352

Related reactions

2 records

New reaction record

HRID 232542As productuspto-grants-1997_01

HRID 1768940As productuspto-grants-1995_01

Compound notes

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