1,1-dimethylethyl 3-(1,2,4-thiadiazol-5-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate

HCID 66599337
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCn2c(nnc2-c2ncns2)C1
InChIKey
DMIWGCCXLPCSTK-UHFFFAOYSA-N
Molecular formula
C12H16N6O2S
Average molar mass
308.36 g/mol
Monoisotopic mass
308.10554495

Names & identifiers

Preferred name
1,1-dimethylethyl 3-(1,2,4-thiadiazol-5-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
IUPAC
tert-butyl 3-(1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

Names & synonyms

SCHEMBL109572DMIWGCCXLPCSTK-UHFFFAOYSA-N1,1-dimethylethyl 3-(1,2,4-thiadiazol-5-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate

Database identifiers

PubChem CID
66599337

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
114 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
21

Related reactions

3 records
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Compound notes

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