Basic information
- CAS
51934-17-9- Standard SMILES
CC1=Nc2c(ncnc2SCc2ccccc2)NN1- InChIKey
BXRQGUKSFHKWSX-UHFFFAOYSA-N- Molecular formula
- C13H13N5S
- Average molar mass
- 271.34 g/mol
- Monoisotopic mass
- 271.08916661
Names & identifiers
- Preferred name
- 5-(Benzylsulfanyl)-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
- IUPAC
- 5-benzylsulfanyl-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
Names & synonyms
51934-17-9NSC166542DTXSID103046275-(benzylsulfanyl)-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazineNSC-166542
Database identifiers
- CAS
51934-17-9- PubChem CID
- 296406
- DTXSID
DTXSID10304627
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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