4-Bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone
Basic information
- CAS
21456-76-8- Standard SMILES
O=c1c(Br)c(N2CCCCC2)cnn1-c1ccccc1- InChIKey
PFFQYDKLRPGBSH-UHFFFAOYSA-N- Molecular formula
- C15H16BrN3O
- Average molar mass
- 334.21 g/mol
- Monoisotopic mass
- 333.04767
Overview
4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone is a dialkylarylamine and a tertiary amino compound.
Names & identifiers
- Preferred name
- 4-Bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone
- IUPAC
- 4-bromo-2-phenyl-5-piperidin-1-ylpyridazin-3-one
Names & synonyms
4-bromo-2-phenyl-5-piperidin-1-ylpyridazin-3-one4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone4-bromo-2-phenyl-5-(piperidin-1-yl)pyridazin-3(2H)-oneOprea1_443880MLS000727519CHEMBL1577695CHEBI:122167DTXSID501331693HMS2666I17AKOS001108970CCG-11560521456-76-8
Show more names
SMR000306216SR-01000085562SR-01000085562-1Q27210813Z996017224-bromo-2-phenyl-5-piperidin-1-ylpyridazin-3(2H)-one
Database identifiers
- CAS
21456-76-8- PubChem CID
- 733092
- DTXSID
DTXSID501331693- ChEMBL
CHEMBL1577695- ChEBI
CHEBI:122167
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Experimental & physicochemical properties
Solubility14.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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