Basic information
- Standard SMILES
c1ccc2sc(-c3nnc4n3CCNC4)nc2c1- InChIKey
DBPFJFJPPAFRIM-UHFFFAOYSA-N- Molecular formula
- C12H11N5S
- Average molar mass
- 257.32 g/mol
- Monoisotopic mass
- 257.07351655
Names & identifiers
- Preferred name
- 3-Benzothiazol-2-yl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine
- IUPAC
- 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-benzothiazole
Names & synonyms
SCHEMBL6294673DBPFJFJPPAFRIM-UHFFFAOYSA-N3-Benzothiazol-2-yl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine3-Benzothiazol-2-yl-5.6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine
Database identifiers
- PubChem CID
- 22328792
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
10 records
Compound notes
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