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January 28, 2026
C4H8N4O
Datos Químicos de C4H8N4O
ID
127491
Molecular Scaffold
gK@ABeKcMH@
Molecular Formula
C4H8N4O
Elemental Composition %
C: 23.5294117647059%
H: 47.0588235294118%
O: 5.88235294117647%
N: 23.5294117647059%
Weight
128.135
Programa de Cálculo
G16
SMILES
Cn1nc(N)nc1CO
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N4O/c1-8-3(2-9)6-4(5)7-8/h9H,2H2,1H3,(H2,5,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HOBKWCNJCDRYTN-UHFFFAOYSA-N