Basic information
- CAS
22184-42-5- Standard SMILES
O=[N+]([O-])c1ccc(C2=Nn3cnnc3SC2)cc1- InChIKey
JCTWTQOYPUKPPK-UHFFFAOYSA-N- Molecular formula
- C10H7N5O2S
- Average molar mass
- 261.26 g/mol
- Monoisotopic mass
- 261.03204566
Names & identifiers
- Preferred name
- 6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
- IUPAC
- 6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Names & synonyms
6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine22184-42-5MLS001047356CHEMBL1574932DTXSID701319853HMS2809G16AKOS001033542SMR000427457ST50114301SR-01000028273SR-01000028273-1Z56783359
Show more names
6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazine6-(4-Nitro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Database identifiers
- CAS
22184-42-5- PubChem CID
- 915083
- DTXSID
DTXSID701319853- ChEMBL
CHEMBL1574932
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
Solubility10 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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