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January 28, 2026
C3H3N5O
Datos Químicos de C3H3N5O
ID
129227
Molecular Scaffold
daDh@DJfAIeUnZZX@_qFX
Molecular Formula
C3H3N5O
Elemental Composition %
C: 25%
H: 25%
O: 8.33333333333333%
N: 41.6666666666667%
Weight
125.091
Programa de Cálculo
G16
SMILES
[NH]C(NN=N1)=N[CH]C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H3N5O/c4-3-5-1-2(9)6-8-7-3/h1,4H,(H,5,6,7,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZXWFMIARXGLFLZ-UHFFFAOYSA-N