Basic information
- CAS
38874-44-1- Standard SMILES
CN(C)c1ncnc2c1nnn2C1OC(CO)C(O)C1O- InChIKey
JHZKUIUDOKIAQC-UHFFFAOYSA-N- Molecular formula
- C11H16N6O4
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.12330301
Names & identifiers
- Preferred name
- n,n-Dimethyl-3-pentofuranosyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
- IUPAC
- 2-[7-(dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 3-(β-D-Ribofuranosyl)-7-(dimethylamino)-3H-1,2,3-triazolo[4,5-d]pyrimidine
- Molecular formula
- C11H16N6O4
- Molecular weight
- 296.28254
Names & synonyms
MLS00292019138874-44-1NSC133119n,n-dimethyl-3-pentofuranosyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amineCHEMBL1882616DTXSID10959651NSC-133119SMR0017977883-(β-D-Ribofuranosyl)-7-(dimethylamino)-3H-1,2,3-triazolo[4,5-d]pyrimidine
Database identifiers
- CAS
38874-44-1- PubChem CID
- 280899
- DTXSID
DTXSID10959651- ChEMBL
CHEMBL1882616
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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