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January 28, 2026
C5H3N3O
Datos Químicos de C5H3N3O
ID
130489
Molecular Scaffold
diWH@HHPRe[RkaiZV`@
Molecular Formula
C5H3N3O
Elemental Composition %
C: 41.6666666666667%
H: 25%
O: 8.33333333333333%
N: 25%
Weight
121.099
Programa de Cálculo
G16
SMILES
C1=NC=C2N=CON=C12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H3N3O/c1-4-5(2-6-1)8-9-3-7-4/h1-3H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZFOXIUKJAUUJFE-UHFFFAOYSA-N