7-Tert-Butyl-6-[(1-Ethyl-1H-1,2,4-Triazol-5-Yl)Methoxy]-3-(2-Fluorophenyl)[1,2,4]Triazolo[4,3-B]Pyridazine

Molecule SVG Image

Properties Simple | Detailed

Formula C20H22FN7O
IUPAC Name 7-tert-butyl-6-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-(2-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazine
Molecular Mass 395.433 g·mol−1
Heat of Formation 270.3 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 471.52 Å 3
Surface Area 381.53 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 1
  • 2
  • 3
  • 4
  • 6
  • 7
  • [
  • ]
  • a
  • b
  • d
  • e
  • f
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • t
  • u
  • x
  • y
  • z
InChIKey QKIWQBLNTSQOLY-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F