Basic information
- CAS
112127-66-9- Standard SMILES
CC1CC(=O)NN=C1c1ccc(-n2ccc(=O)cc2)cc1- InChIKey
OOTPDLYEDHRWNL-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- 4,5-Dihydro-5-methyl-6-(4-(4-oxo-1(4H)-pyridinyl)phenyl)-3(2H)-pyridazinone
- IUPAC
- 4-methyl-3-[4-(4-oxo-1-pyridinyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
Names & synonyms
SK&F 95654112127-66-9Skf 95654SK&F-95654SB 95654SB-956544,5-dihydro-5-methyl-6-(4-(4-oxo-1(4h)-pyridinyl)phenyl)-3(2h)-pyridazinone4,5-Dihydro-5-methyl-6-[4-(4-oxo-1(4H)-pyridinyl)phenyl]-3(2H)-pyridazinoneRefChem:9118804-methyl-3-[4-(4-oxopyridin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one3(2H)-Pyridazinone, 4,5-dihydro-5-methyl-6-(4-(4-oxo-1(4H)-Pyridinyl)phenyl)-OOTPDLYEDHRWNL-UHFFFAOYSA-N
Show more names
DTXSID80920671SKF-95654skf95654SCHEMBL6212361GLXC-02359DB-3959881-[4-(6-Hydroxy-4-methyl-4,5-dihydropyridazin-3-yl)phenyl]pyridin-4(1H)-one5-Methyl-6-[4-(4-oxo-1,4-dihydropyridin-1-yl)phenyl]-4,5-dihydro-3(2H)-pyridazinone
Database identifiers
- CAS
112127-66-9- PubChem CID
- 130702
- Nikkaji
- J522.920K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 512
Related reactions
9 records
Compound notes
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