Basic information
- Standard SMILES
NNc1nc(Cl)nc(N2CCN3CCOC[C@H]3C2)c1F- InChIKey
WLGQCZQFYPLCGR-SSDOTTSWSA-N- Molecular formula
- C11H16ClFN6O
- Average molar mass
- 302.73 g/mol
Names & identifiers
- Preferred name
- (9aR)-8-(2-chloro-5-fluoro-6-hydrazino-4-pyrimidinyl)octahydropyrazino[2,1-c][1,4]oxazine
- IUPAC
- [6-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-chloro-5-fluoropyrimidin-4-yl]hydrazine
Names & synonyms
SCHEMBL1190921WLGQCZQFYPLCGR-SSDOTTSWSA-N(9aR)-8-(2-chloro-5-fluoro-6-hydrazino-4-pyrimidinyl)octahydropyrazino[2,1-c][1,4]oxazine(9aR)-8-(2-chloro-5-fluoro-6-hydrazino-4-pyrimidinyl)octahydro pyrazino[2,1-c][1,4]oxazine
Database identifiers
- PubChem CID
- 86636988
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
2 records
Compound notes
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