4H,6H-Pyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine, 3-(3-fluoro-2-pyridinyl)-5a,7,8,8a-tetrahydro-, (5aR,8aR)-
Basic information
- CAS
1787267-18-8- Standard SMILES
Fc1cccnc1-c1nnn2c1CO[C@@H]1CNC[C@H]12- InChIKey
QFKQMOFXEQUNSG-PSASIEDQSA-N- Molecular formula
- C12H12FN5O
- Average molar mass
- 261.25 g/mol
- Monoisotopic mass
- 261.10258819
Names & identifiers
- Preferred name
- 4H,6H-Pyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine, 3-(3-fluoro-2-pyridinyl)-5a,7,8,8a-tetrahydro-, (5aR,8aR)-
- IUPAC
- (2R,6R)-10-(3-fluoro-2-pyridinyl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
Names & synonyms
DTXSID8011070871787267-18-84H,6H-Pyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine, 3-(3-fluoro-2-pyridinyl)-5a,7,8,8a-tetrahydro-, (5aR,8aR)-
Database identifiers
- CAS
1787267-18-8- PubChem CID
- 165367283
- DTXSID
DTXSID801107087
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…