1-Methyl-3-Nitro-1H-1,2,4-Triazole

Molecule SVG Image

Properties Simple | Detailed

Formula C3H4N4O2
IUPAC Name 1-methyl-3-nitro-1,2,4-triazole
Molecular Mass 128.089 g·mol−1
Heat of Formation 255.5 ± 16.7 kJ·mol−1
Dipole Moment 8.06 ± 1.08 D
Volume 135.34 Å 3
Surface Area 148.2 Å 2
HOMO Energy -11.08 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-3-nitro-1,2,4-triazole
  • 1h-1,2,4-triazole, 1-methyl-3-nitro-
  • 3-ntr
CAS Number(s)
  • 26621-45-4
InChIKey DOEWLMFVRWMCGM-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N