3-[(5-Methyl-5H-[1,2,4]Triazino[5,6-B]Indol-3-Yl)Amino]-1-Propanol

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Properties Simple | Detailed

Formula C13H15N5O
IUPAC Name 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-5-ium-3-yl)amino]propan-1-ol
Molecular Mass 257.291 g·mol−1
Heat of Formation 199.5 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 303.97 Å 3
Surface Area 288.12 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-propanol, 3-((5-methyl-5h-1,2,4-triazino(5,6-b)indol-3-yl)amino)- (9ci)
  • 1-propanol, 3-[(5-methyl-5h-1,2,4-triazino[5,6-b]indol-3-yl)amino]-
  • 1-propanol, {3-[(5-methyl-5h-1,2,4-triazino[5,} 6-b]indol-3-yl)amino]-
  • 3-((5-methyl-5h-[1,2,4]triazino[5,6-b]indol-3-yl)amino)-1-propanol
  • 3-((5-methyl-5h-as-triazino(5,6-b)indol-3-yl)amino)-1-propanol
  • 3-(3-hydroxypropylamine)-5-methyl-as-triazino(5,6-b)indole
  • 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
  • as-triazino[5,6-b]indole, 3-(3'-hydroxypropylamino)-5-methyl-
  • sk&f 21687
  • skf 21687
CAS Number(s)
  • 4046-86-0
InChIKey HAFUDIVSEQDBAY-UHFFFAOYSA-N
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