3-Pentofuranosyl-3h-[1,2,3]triazolo[4,5-b]pyridine
Basic information
- CAS
3868-38-0- Standard SMILES
OCC1OC(n2nnc3cccnc32)C(O)C1O- InChIKey
FGZDZUFVWLSQOG-UHFFFAOYSA-N- Molecular formula
- C10H12N4O4
- Average molar mass
- 252.23 g/mol
- Monoisotopic mass
- 252.08585488
Names & identifiers
- Preferred name
- 3-Pentofuranosyl-3h-[1,2,3]triazolo[4,5-b]pyridine
- IUPAC
- 2-(hydroxymethyl)-5-(triazolo[4,5-b]pyridin-3-yl)oxolane-3,4-diol
Names & synonyms
3868-38-03-pentofuranosyl-3h-[1,2,3]triazolo[4,5-b]pyridineNSC87203DTXSID00293096NSC-87203
Database identifiers
- CAS
3868-38-0- PubChem CID
- 258356
- DTXSID
DTXSID00293096
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
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Compound notes
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