5-[(1-Amino-2-Methyl-2-Propanyl)Amino]-7-[(3,5-Dimethoxyphenyl)Amino][1,2,4]Triazolo[4,3-C]Pyrimidine-8-Carboxamide

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Formula C18H24N8O3
IUPAC Name 5-[(2-amino-1,1-dimethyl-ethyl)amino]-7-(3,5-dimethoxyanilino)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide
Molecular Mass 400.435 g·mol−1
Heat of Formation 2700.5 ± 16.7 kJ·mol−1
Dipole Moment 16.64 ± 1.08 D
Volume 413.32 Å 3
Surface Area 369.51 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
InChIKey AEEITZXNPLOKQJ-UHFFFAOYSA-N
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