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January 28, 2026
C3H4N4O
Datos Químicos de C3H4N4O
ID
4244
Molecular Scaffold
gO}@EfDfUkZi`G|Rx
Molecular Formula
C3H4N4O
Elemental Composition %
C: 25%
H: 33.3333333333333%
O: 8.33333333333333%
N: 33.3333333333333%
Weight
112.092
Programa de Cálculo
G16
SMILES
[NH]C(N1)=N[CH]NC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1,4H,(H2,5,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XCGXLJTYYPFOFN-UHFFFAOYSA-N