Basic information
- CAS
64460-66-8- Standard SMILES
CSc1nncc(NCc2ccccc2)n1- InChIKey
JABZEQQWYOXZSA-UHFFFAOYSA-N- Molecular formula
- C11H12N4S
- Average molar mass
- 232.31 g/mol
- Monoisotopic mass
- 232.07826757
Names & identifiers
- Preferred name
- N-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5-amine
- IUPAC
- N-benzyl-3-methylsulfanyl-1,2,4-triazin-5-amine
Names & synonyms
64460-66-8N-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5-amineDTXSID30494857
Database identifiers
- CAS
64460-66-8- PubChem CID
- 12371568
- DTXSID
DTXSID30494857
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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