Basic information
- Standard SMILES
O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ncns2)C1- InChIKey
DFDFQZAWIMDJHL-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2N6OS
- Average molar mass
- 381.2 g/mol
- Monoisotopic mass
- 380.0013855
Names & identifiers
- Preferred name
- 7-[(2,3-Dichlorophenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
- IUPAC
- (2,3-dichlorophenyl)-[3-(1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Names & synonyms
SCHEMBL108491DFDFQZAWIMDJHL-UHFFFAOYSA-N7-[(2,3-Dichlorophenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro [1,2,4]triazolo[4,3-a]pyrazine7-[(2,3-Dichlorophenyl)carbonyl]-3-(1,2,4-thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Database identifiers
- PubChem CID
- 66599162
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 488
Related reactions
2 records
Compound notes
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