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January 28, 2026
C3H5N3
Datos Químicos de C3H5N3
ID
766
Molecular Scaffold
gKT@ADiYi@@
Molecular Formula
C3H5N3
Elemental Composition %
C: 27.2727272727273%
H: 45.4545454545455%
O: 0%
N: 27.2727272727273%
Weight
83.0937
Programa de Cálculo
G16
SMILES
Nc1n[nH]cc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JVVRJMXHNUAPHW-UHFFFAOYSA-N