Basic information
- Standard SMILES
c1cncc(-c2n[nH]c3c2Cc2sccc2-3)c1- InChIKey
WYZFOKAZLQMEOY-UHFFFAOYSA-N- Molecular formula
- C13H9N3S
- Average molar mass
- 239.3 g/mol
Names & identifiers
- Preferred name
- 6-Pyridin-3-yl-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
- IUPAC
- 5-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
Names & synonyms
SCHEMBL15311679WYZFOKAZLQMEOY-UHFFFAOYSA-N6-Pyridin-3-yl-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
Database identifiers
- PubChem CID
- 71815946
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
1 records
Compound notes
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