Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,6-dimethyl-4-phenyl-
Basic information
- CAS
25506-00-7- Standard SMILES
Cc1onc2c(=O)n(C)nc(-c3ccccc3)c12- InChIKey
XJXJGEAQOLTDAY-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Names & identifiers
- Preferred name
- Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,6-dimethyl-4-phenyl-
- IUPAC
- 3,6-dimethyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
- English name
- 4-Phenyl-3,6-dimethylisoxazolo[3,4-d]pyridazine-7(6H)-one
- Molecular formula
- C13H11N3O2
- Molecular weight
- 241.25
Names & synonyms
BRN 112744025506-00-7ISOXAZOLO(3,4-d)PYRIDAZIN-7(6H)-ONE, 3,6-DIMETHYL-4-PHENYL-3,6-Dimethyl-4-phenylisoxazolo(3,4-d)pyridazin-7(6H)-one3,6-Dimetil-4-fenilisossazolo(3,4-d)piridazin-7-one [Italian]DTXSID801801973,6-Dimetil-4-fenilisossazolo(3,4-d)piridazin-7-oneRefChem:350274DTXCID901026883,6-dimethyl-4-phenyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one3,6-Dimethyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one4-Phenyl-3,6-dimethylisoxazolo[3,4-d]pyridazine-7(6H)-one
Show more names
Isoxazolo[3,4-d]pyridazin-7(6H)-one, 3,6-dimethyl-4-phenyl-
Database identifiers
- CAS
25506-00-7- PubChem CID
- 33027
- DTXSID
DTXSID80180197- Nikkaji
- J96.752A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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