3-(5,7-Diamino-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Basic information
- CAS
88852-60-2- Standard SMILES
Nc1nc(N)c2nnn(C3CC(CO)C(O)C3O)c2n1- InChIKey
XANFJHGCOJYBCQ-UHFFFAOYSA-N- Molecular formula
- C10H15N7O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.12363737
Names & identifiers
- Preferred name
- 3-(5,7-Diamino-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
- IUPAC
- 3-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Names & synonyms
88852-60-23-(5,7-diamino-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diolNSC162678CHEMBL281116SCHEMBL10675799NSC613818ZINC04621320NSC 162678NSC-162678NSC-6138181,2-Cyclopentanediol, 3-(5,7-diamino-3H-v-triazolo(4,5-d)pyrimidin-3-yl)-5-(hydroxymethyl)-
Database identifiers
- CAS
88852-60-2- PubChem CID
- 294392
- ChEMBL
CHEMBL281116
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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