N~7~-Butyl-N~2~-(5-Chloro-2-Methylphenyl)-5-Methyl[1,2,4]Triazolo[1,5-A]Pyrimidine-2,7-Diamine

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Formula C17H21ClN6
IUPAC Name n'-butyl-n-(5-chloro-2-methylphenyl)-5-methyl-[1,2,4]triazolo[5,1-b]pyrimidine-2,7-diamine
Molecular Mass 344.842 g·mol−1
Heat of Formation 305.4 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 417.04 Å 3
Surface Area 369.01 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • butyl-[2-[(5-chloro-2-methyl-phenyl)amino]-5-methyl-[1,2,4]triazolo[5,1-b]pyrimidin-7-yl]amine
  • n'-butyl-n-(5-chloro-2-methyl-phenyl)-5-methyl-[1,2,4]triazolo[5,1-b]pyrimidine-2,7-diamine
  • n7-butyl-n2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
InChIKey ZTYBIJUAAWLJNU-UHFFFAOYSA-N
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Elements H C N Cl