3-{[(3-Methyl-1,2-Oxazol-5-Yl)Methyl]Sulfanyl}[1,2,4]Triazolo[4,3-A]Pyridine

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Properties Simple | Detailed

Formula C11H11N4OS+
IUPAC Name 3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
Molecular Mass 247.296 g·mol−1
Heat of Formation 388.9 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 275.3 Å 3
Surface Area 264.19 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3-methyl-5-isoxazolyl)methylthio]-[1,2,4]triazolo[4,3-a]pyridine
  • 3-[(3-methylisoxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
  • 3-[(3-methylisoxazol-5-yl)methylthio]-[1,2,4]triazolo[4,3-a]pyridine
  • t5686325
InChIKey OHGHXAMWUPRSET-UHFFFAOYSA-N
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