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January 28, 2026
C3H5N3
Datos Químicos de C3H5N3
ID
747
Molecular Scaffold
gK@ABeKcKP@
Molecular Formula
C3H5N3
Elemental Composition %
C: 27.2727272727273%
H: 45.4545454545455%
O: 0%
N: 27.2727272727273%
Weight
83.0937
Programa de Cálculo
G16
SMILES
Cn1cnnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XILPCSMEKCBYFO-UHFFFAOYSA-N