2-[7-(Butylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
61038-40-2- Standard SMILES
CCCCNc1ncnc2c1nnn2C1OC(CO)C(O)C1O- InChIKey
PNDATDMRJNGHKC-UHFFFAOYSA-N- Molecular formula
- C13H20N6O4
- Average molar mass
- 324.34 g/mol
- Monoisotopic mass
- 324.15460314
Names & identifiers
- Preferred name
- 2-[7-(Butylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[7-(butylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC21734661038-40-2DTXSID20309840NSC-217346N-Butyl-3-pentofuranosyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine3H-1,3-Triazolo[4,5-d]pyrimidin-7-amine, N-butyl-3-.beta.-D-ribofuranosyl-
Database identifiers
- CAS
61038-40-2- PubChem CID
- 311784
- DTXSID
DTXSID20309840
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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