3-(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Basic information
- CAS
50619-41-5- Standard SMILES
Nc1nc(Cl)c2nnn(C3CC(CO)C(O)C3O)c2n1- InChIKey
OGDHXDCHRQQLSX-UHFFFAOYSA-N- Molecular formula
- C10H13ClN6O3
- Average molar mass
- 300.7 g/mol
- Monoisotopic mass
- 300.073766
Names & identifiers
- Preferred name
- 3-(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
- IUPAC
- 3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Names & synonyms
50619-41-5NSC1384343-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol3-(5-amino-7-chloro-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diolCHEMBL21422DTXSID40300713NSC613817NSC-138434NSC-6138171,2-Cyclopentanediol,3-(5-amino-7-chloro-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)-,(1R,2S,3R,5R)-rel-DS-008219
Database identifiers
- CAS
50619-41-5- PubChem CID
- 283567
- DTXSID
DTXSID40300713- ChEMBL
CHEMBL21422
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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