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January 28, 2026
C4H6N4O
Datos Químicos de C4H6N4O
ID
128433
Molecular Scaffold
gK@AbeKbuPC~Dlr@
Molecular Formula
C4H6N4O
Elemental Composition %
C: 26.6666666666667%
H: 40%
O: 6.66666666666667%
N: 26.6666666666667%
Weight
126.119
Programa de Cálculo
G16
SMILES
COC(N1[N]C=N[CH]1)=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N4O/c1-9-4(5)8-3-6-2-7-8/h2-3,5H,1H3,(H,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NXFMUZKGNUIHGH-UHFFFAOYSA-N