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January 28, 2026
C5H5N3O
Datos Químicos de C5H5N3O
ID
123701
Molecular Scaffold
diwH@LxPRfYRjfxZZjjqHRj@aBsd@
Molecular Formula
C5H5N3O
Elemental Composition %
C: 35.7142857142857%
H: 35.7142857142857%
O: 7.14285714285714%
N: 21.4285714285714%
Weight
123.115
Programa de Cálculo
G16
SMILES
C1[C@H]2OC3=N[N]N[C@]3[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N3O/c1-2-3(1)9-5-4(2)6-8-7-5/h2-4,6,8H,1H2/t2-,3+,4+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OWJDYCIPYKHEAA-PZGQECOJSA-N