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January 28, 2026
C4H8N4O
Datos Químicos de C4H8N4O
ID
124721
Molecular Scaffold
gKU@I`eKcRp@
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
C[C@H](c1c(N)nno1)N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N4O/c1-2(5)3-4(6)7-8-9-3/h2H,5-6H2,1H3/t2-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VGMFPNGJNLQKAL-UWTATZPHSA-N