3-Tert-Butyl-7-(5-Methylisoxazol-3-Yl)-2-(1-Methyl-1H-1,2,4-Triazol-5-Ylmethoxy)Pyrazolo(1,5-D)(1,2,4)Triazine

Molecule SVG Image

Properties Simple | Detailed

Formula C17H20N8O2
IUPAC Name 3-[3-tert-butyl-2-[(2-methyl-4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazin-8-ium-1-id-7-yl]-5-methyl-isoxazole
Molecular Mass 368.393 g·mol−1
Heat of Formation 512.7 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 428.12 Å 3
Surface Area 379.62 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3-tert-butyl-7-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
  • 3-tert-butyl-7-(5-methyl-3-isoxazolyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
  • 3-tert-butyl-7-(5-methylisoxazol-3-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
InChIKey QYSYOGCIDRANAR-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N