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January 28, 2026
C3H5N3
Datos Químicos de C3H5N3
ID
437
Molecular Scaffold
gF|@AjeKxmS@@
Molecular Formula
C3H5N3
Elemental Composition %
C: 27.2727272727273%
H: 45.4545454545455%
O: 0%
N: 27.2727272727273%
Weight
83.0937
Programa de Cálculo
G16
SMILES
N=C1NC=NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OULQIRTYSJHFKP-UHFFFAOYSA-N