3-({[4-(6-Methyl-2-Pyridinyl)-5-([1,2,4]Triazolo[1,5-A]Pyridin-6-Yl)-1,3-Thiazol-2-Yl]Amino}Methyl)Benzonitrile

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Formula C23H17N7S
IUPAC Name 3-[[[4-(6-methyl-2-pyridyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)thiazol-2-yl]amino]methyl]benzonitrile
Molecular Mass 423.493 g·mol−1
Heat of Formation 799.5 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 497.26 Å 3
Surface Area 408.18 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
InChIKey CBDNDJPIMQLOAF-UHFFFAOYSA-N
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Elements H S C N