Basic information
- CAS
91311-05-6- Standard SMILES
Nc1nc(Cl)c2nnn(C3CC(O)C(CO)C3)c2n1- InChIKey
AAPYTIHMITVQNC-UHFFFAOYSA-N- Molecular formula
- C10H13ClN6O2
- Average molar mass
- 284.7 g/mol
- Monoisotopic mass
- 284.0788514
Names & identifiers
- Preferred name
- 4-(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)cyclopentan-1-ol
- IUPAC
- 4-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)cyclopentan-1-ol
Names & synonyms
91311-05-6NSC1661474-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)cyclopentan-1-olCHEMBL280564DTXSID50304525NSC-1661474-(5-Amino-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)cyclopentan-1-ol
Database identifiers
- CAS
91311-05-6- PubChem CID
- 296229
- DTXSID
DTXSID50304525- ChEMBL
CHEMBL280564
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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