5-(Ethylsulfanyl)[1,2,4]triazolo[4,3-a]pyridine
Basic information
- CAS
66999-67-5- Standard SMILES
CCSc1cccc2nncn12- InChIKey
BYGAFHHQEYQFSJ-UHFFFAOYSA-N- Molecular formula
- C8H9N3S
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.05171847
Names & identifiers
- Preferred name
- 5-(Ethylsulfanyl)[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 5-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridine
Names & synonyms
66999-67-5NSC2898115-(Ethylsulfanyl)[1,2,4]triazolo[4,3-a]pyridineDTXSID30314920NSC-289811
Database identifiers
- CAS
66999-67-5- PubChem CID
- 324443
- DTXSID
DTXSID30314920
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…