Basic information
- CAS
5315-26-4- Standard SMILES
c1ccn2c(SSc3nnc4ccccn34)nnc2c1- InChIKey
MUAWOTQABOKJGJ-UHFFFAOYSA-N- Molecular formula
- C12H8N6S2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.02518663
Names & identifiers
- Preferred name
- 3-([1,2,4]Triazolo[4,3-a]pyridin-3-yldisulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 3-([1,2,4]triazolo[4,3-a]pyridin-3-yldisulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
Names & synonyms
5315-26-4NSC68464DTXSID40967668NSC-684643,3'-Disulfanediyldi([1,2,4]triazolo[4,3-a]pyridine)
Database identifiers
- CAS
5315-26-4- PubChem CID
- 249776
- DTXSID
DTXSID40967668
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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