4-[({5-Nitro-2-Furyl}Methylene)Amino]-4H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C7H5N5O3
IUPAC Name n-(2-aza-4-azonia-1-azanidacyclopenta-2,4-dien-4-yl)-1-(5-nitro-2-furyl)methanimine
Molecular Mass 207.146 g·mol−1
Heat of Formation 397.8 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 217.95 Å 3
Surface Area 220.94 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (5-nitro-2-furyl)methylene-(1,2,4-triazol-4-yl)amine
  • (e)-(5-nitro-2-furyl)methylene-(1,2,4-triazol-4-yl)amine
  • 1-(5-nitro-2-furyl)-n-(1,2,4-triazol-4-yl)methanimine
  • 4-((5-nitrofurfurylidene)amino)-4h-1,2,4-triazole
  • 4-(5-nitro-2-furfurylidenamino)-4h-1,2,4-triazole
  • 4h-1,2,4-triazol-4-amine, n-((5-nitro-2-furanyl)methylene)-
  • 4h-1,2,4-triazol-4-amine, n-[(1e)-(5-nitro-2-furanyl)methylene]-
  • 4h-1,2,4-triazole, 4-((5-nitrofurfurylidene)amino)- (7ci,8ci)
  • ah-034/11365177
  • furazonal
  • n-((5-nitro-2-furanyl)methylene)-4h-1,2,4-triazol-4-amine
  • n-[(1e)-(5-nitro-2-furyl)methylene]-4h-1,2,4-triazol-4-amine
  • oprea1_383430
  • oprea1_576828
CAS Number(s)
  • 13185-22-3
InChIKey QXVYMNMBMPYNAZ-XCVCLJGOSA-N
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