7-benzylsulfanyl-2H-triazolo[4,5-d]pyrimidine
Basic information
- CAS
6312-58-9- Standard SMILES
c1ccc(CSc2ncnc3n[nH]nc23)cc1- InChIKey
SDFUWFAIEDBQCN-UHFFFAOYSA-N- Molecular formula
- C11H9N5S
- Average molar mass
- 243.29 g/mol
- Monoisotopic mass
- 243.05786648
Names & identifiers
- Preferred name
- 7-benzylsulfanyl-2H-triazolo[4,5-d]pyrimidine
- IUPAC
- 7-benzylsulfanyl-2H-triazolo[4,5-d]pyrimidine
Names & synonyms
6312-58-97-benzylsulfanyl-2H-triazolo[4,5-d]pyrimidineSCHEMBL15313081DTXSID30423485NSC40365NSC-403657-(Benzylsulfanyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine
Database identifiers
- CAS
6312-58-9- PubChem CID
- 6415310
- DTXSID
DTXSID30423485
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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