3-Amino-1,2,4-Triazole(61-82-5) IR2
Product Name3-Amino-1,2,4-Triazole
CAS61-82-5
Molecular FormulaC2H4N4
Molecular Weight84.08
InChIInChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKey KLSJWNVTNUYHDU-UHFFFAOYSA-N
SmilesN1C(N)=NC=N1
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MassMS-NW-5761 1,2,4-triazol-3-amine C2H4N4 (Mass of molecular ion: 84)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
13.0 1.0 18.0 3.0 27.0 5.4 28.0 34.2 29.0 4.5 30.0 2.1 41.0 1.5 42.0 9.9 43.0 11.1 53.0 1.4 54.0 1.9 57.0 31.5 84.0 100.0 85.0 4.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C2 H4 N4 0.038 g : 0.5 ml DMSO-d6 1,2,4-triazol-3-amine 
Assign. Shift(ppm)
A 12.2 B 7.48 C 5.9
Hz ppm Int.4866.37 12.177 222 2992.76 7.489 859 2343.25 5.864 1000
in DMSO-d6
KBr disc
nujol mull
