Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4,6-diphenyl-
Basic information
- CAS
25505-99-1- Standard SMILES
O=c1c2nocc2c(-c2ccccc2)nn1-c1ccccc1- InChIKey
LBUYGKIHAVPWJS-UHFFFAOYSA-N- Molecular formula
- C17H11N3O2
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.0851266
Names & identifiers
- Preferred name
- Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4,6-diphenyl-
- IUPAC
- 4,6-diphenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
- English name
- 4,6-Diphenylisoxazolo[3,4-d]pyridazin-7(6H)-one
- Molecular formula
- C17H11N3O2
- Molecular weight
- 289.29
Names & synonyms
BRN 1139896ISOXAZOLO(3,4-d)PYRIDAZIN-7(6H)-ONE, 4,6-DIPHENYL-4,6-Diphenylisoxazolo(3,4-d)pyridazin-7(6H)-one25505-99-14,6-Difenilisossazolo(3,4-d)piridazin-7-one [Italian]4,6-Difenilisossazolo(3,4-d)piridazin-7-oneDTXSID20180196RefChem:350275DTXCID30102687NCGC00537215-014,6-diphenyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one4,6-Diphenylisoxazolo[3,4-d]pyridazin-7(6H)-one
Show more names
Isoxazolo[3,4-d]pyridazin-7(6H)-one, 4,6-diphenyl-
Database identifiers
- CAS
25505-99-1- PubChem CID
- 33026
- DTXSID
DTXSID20180196- Nikkaji
- J96.753J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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