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January 28, 2026
C3H3N3O
Datos Químicos de C3H3N3O
ID
3927
Molecular Scaffold
gK@AbeKbuPC~Dlr@
Molecular Formula
C3H3N3O
Elemental Composition %
C: 30%
H: 30%
O: 10%
N: 30%
Weight
97.0768
Programa de Cálculo
G16
SMILES
O=CN1[N]C=N[CH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N3O/c7-3-6-2-4-1-5-6/h1-3H,(H,4,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LAUOIINEIINXET-UHFFFAOYSA-N