2-Phenyl-2,4-dihydro(1,2,3)triazolo(4,5-c)(1,2,6)thiadiazin-7-amine 5,5-dioxide
Basic information
- CAS
63479-78-7- Standard SMILES
NC1=NS(=O)(=O)Nc2nn(-c3ccccc3)nc21- InChIKey
VDPZCDIUHDBRIP-UHFFFAOYSA-N- Molecular formula
- C9H8N6O2S
- Average molar mass
- 264.27 g/mol
- Monoisotopic mass
- 264.04294469
Names & identifiers
- Preferred name
- 2-Phenyl-2,4-dihydro(1,2,3)triazolo(4,5-c)(1,2,6)thiadiazin-7-amine 5,5-dioxide
- IUPAC
- 5,5-dioxo-2-phenyl-4H-triazolo[4,5-c][1,2,6]thiadiazin-7-amine
Names & synonyms
63479-78-72-Phenyl-2,4-dihydro(1,2,3)triazolo(4,5-c)(1,2,6)thiadiazin-7-amine 5,5-dioxideNSC295420NSC 295420NSC-2954202-Phenyl-2,4-dihydro[1,2,3]triazolo[4,5-c][1,2,6]thiadiazin-7-amine 5,5-dioxide5,5-dioxo-2-phenyl-3H-triazolo[4,5-c][1,2,6]thiadiazin-7-amineM234J8Y3CZCHEMBL2396859DTXSID702128905,5-dioxo-2-phenyl-4H-triazolo[4,5-c][1,2,6]thiadiazin-7-imine1,2,3-Triazolo[4,5-c][1,2,6]thiadiazin-7-amine, 2,4-dihydro-2-phenyl-, 5,5-dioxide
Show more names
7-amino-2-phenyl-2H,4H-5lambda6-[1,2,3]triazolo[4,5-c][1,2,6]thiadiazine-5,5-dione7-Amino-2-phenyl-2,3-dihydro-5H-5lambda~6~-[1,2,3]triazolo[4,5-c][1,2,6]thiadiazine-5,5-dione
Database identifiers
- CAS
63479-78-7- PubChem CID
- 325860
- DTXSID
DTXSID70212890- ChEMBL
CHEMBL2396859- UNII
- M234J8Y3CZ
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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