6-(3,4-Dimethoxyphenyl)-3-(2-Pyridinyl)[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazole

Molecule SVG Image

Properties Simple | Detailed

Formula C16H13N5O2S
IUPAC Name 6-(3,4-dimethoxyphenyl)-3-(2-pyridyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Molecular Mass 339.372 g·mol−1
Heat of Formation 417.8 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 373.59 Å 3
Surface Area 342.9 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(3,4-dimethoxyphenyl)-3-(2-pyridyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
  • 6-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
InChIKey MEWRLQUBVOVSGN-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N