3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Substructure search Find similar structures

Basic information

CAS: 832737-17-4
Standard SMILES: CC1=Nn2c(nnc2C(F)F)SC1
InChIKey: LYIVLHOHXKGTBS-UHFFFAOYSA-N
Molecular formula: C6H6F2N4S
Average molar mass: 204.2 g/mol
Monoisotopic mass: 204.02812371

Names & identifiers

Preferred name: 3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
IUPAC: 3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
English name: 3-Difluoromethyl-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Molecular formula: C6H6F2N4S
Molecular weight: 204.2

Names & synonyms

3-(difluoromethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine832737-17-4MFCD034227947H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-(difluoromethyl)-6-methyl-3-Difluoromethyl-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazineC6H6F2N4SDTXSID301153611ALBB-038618SBB020993STK312108AKOS000305425CS-0282870

Show more names

AKOS B014795ART-CHEM-BB B014795

EN300-2287663-(Difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine3-(difluoromethyl)-6-methyl-7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazine

Database identifiers

CAS: 832737-17-4
PubChem CID: 7173992
DTXSID: DTXSID301153611

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 68.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 235

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…