Basic information
- CAS
68469-01-2- Standard SMILES
CCc1nnc2n1N=C(c1ccc(OC)cc1)CS2- InChIKey
WWJNOIHSOVGFHS-UHFFFAOYSA-N- Molecular formula
- C13H14N4OS
- Average molar mass
- 274.34 g/mol
Names & identifiers
- Preferred name
- 3-ethyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
- IUPAC
- 3-ethyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
- English name
- 4-(3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenyl methyl ether
- Molecular formula
- C13H14N4OS
- Molecular weight
- 274.34146
Names & synonyms
4-(3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenyl methyl etherSMR000115636MLS000594500SCHEMBL4341283CHEMBL1496746HMS2394G233-ethyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazineAKOS022109365AP-381/41075601
Database identifiers
- CAS
68469-01-2- ChEMBL
CHEMBL1496746
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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