2-Amino-6-Methyl-4-Propyl[1,2,4]Triazolo[1,5-A]Pyrimidin-5(4H)-One

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Properties Simple | Detailed

Formula C9H14N5O++
IUPAC Name 2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-4,8-diium-5-one
Molecular Mass 208.240 g·mol−1
Heat of Formation 69.2 ± 16.7 kJ·mol−1
Dipole Moment 1.69 ± 1.08 D
Volume 246.03 Å 3
Surface Area 236.11 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (1,2,4)triazolo(1,5-a)pyrimidin-5(4h)-one, 2-amino-6-methyl-4-propyl-
  • 2-amino-4,5-dihydro-6-methyl-4-propyl-5-triazolo-(1,5-c)-pyramidin-5-one
  • 2-amino-4,5-dihydro-6-methyl-4-propyl-s-triazolo-(1,5-a)-pyrimidin-5-one
  • 2-amino-6-methyl-4-propyl-1,2,4-triazolo(1,5-a)pyrimidin-5(4h)-one
  • 2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5(4h)-one
  • 2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
  • 2-amino-6-methyl-5-oxo-4n-propyl-4,5-dihydro-s-triazolo(1,5-a)pyrimidine
  • caswell no. 033e
  • ici 63,197
  • ici 63197
  • ici-63197
  • pdsp1_001286
  • pdsp2_001270
  • pp 769
  • tocris-1816
CAS Number(s)
  • 33406-42-7
  • 27277-00-5
InChIKey UQDVRVNMIJAGRK-UHFFFAOYSA-N
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