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Basic information
- Standard SMILES
Nc1ncnc2c1nnn2C1C=C(CO)C(O)C1O- InChIKey
MKYLDGSBJBSNFN-UHFFFAOYSA-N- Molecular formula
- C10H12N6O3
- Average molar mass
- 264.24 g/mol
- Monoisotopic mass
- 264.09708827
Names & identifiers
- Preferred name
- 8-Aza-CPE-A
- IUPAC
- 5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Names & synonyms
8-Aza-CPE-ANSC608621CHEMBL1990951NSC-608621NCI60_004731
Database identifiers
- PubChem CID
- 355280
- ChEMBL
CHEMBL1990951
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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