6-[2-Methyl-6-(Trifluoromethyl)-4-Pyridinyl]-5-Phenyl-1,2,4-Triazin-3-Amine

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Properties Simple | Detailed

Formula C16H12F3N5
IUPAC Name 6-[2-methyl-6-(trifluoromethyl)-4-pyridyl]-5-phenyl-1,2,4-triazin-3-amine
Molecular Mass 331.295 g·mol−1
Heat of Formation -195.9 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 367.18 Å 3
Surface Area 312.73 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey NDFNRBWLVZWETQ-UHFFFAOYSA-N
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Elements H C N F