{(1S,2R)-2-[(5-Amino-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl}methanol
Basic information
- CAS
369648-97-5- Standard SMILES
Nc1nc(Cl)c2nnn(C[C@@H]3CCC[C@@H]3CO)c2n1- InChIKey
TWFQOFCBSCPZSH-NKWVEPMBSA-N- Molecular formula
- C11H15ClN6O
- Average molar mass
- 282.73 g/mol
- Monoisotopic mass
- 282.0995868
Names & identifiers
- Preferred name
- {(1S,2R)-2-[(5-Amino-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl}methanol
- IUPAC
- [(1S,2R)-2-[(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol
Names & synonyms
DTXSID301114534{(1S,2R)-2-[(5-Amino-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl}methanol369648-97-5rel-(1R,2S)-2-[(5-Amino-7-chloro-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentanemethanol
Database identifiers
- CAS
369648-97-5- PubChem CID
- 165340469
- DTXSID
DTXSID301114534
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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