6-(4-pyrrol-1-ylphenyl)-4,5-dihydro-2H-pyridazin-3-one

HCID 20146321

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Basic information

Standard SMILES: O=C1CCC(c2ccc(-n3cccc3)cc2)=NN1
InChIKey: KRLOATHQDWARFP-UHFFFAOYSA-N
Molecular formula: C14H13N3O
Average molar mass: 239.27 g/mol

Names & identifiers

Preferred name: 6-(4-pyrrol-1-ylphenyl)-4,5-dihydro-2H-pyridazin-3-one
IUPAC: 3-(4-pyrrol-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one

Names & synonyms

CHEMBL30975SCHEMBL7287604KRLOATHQDWARFP-UHFFFAOYSA-N6-(4-pyrrol-1-ylphenyl)-4,5-dihydro-2H-pyridazin-3-one4,5-Dihydro-6-[4-(1H-pyrrol-1-yl)phenyl]-3(2H)-pyridazinone6-[4-(1H-pyrrol-1-yl)-phenyl]-4,5-dihydro-2H-pyridazin-3-one

Database identifiers

PubChem CID: 20146321
ChEMBL: CHEMBL30975

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 46.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 339

Related reactions

1 records

New reaction record

HRID 569771As productuspto-grants-1988_03

Compound notes

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