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January 28, 2026
C4H5N3O2
Datos Químicos de C4H5N3O2
ID
25945
Molecular Scaffold
gFu@LPeLfts@@
Molecular Formula
C4H5N3O2
Elemental Composition %
C: 28.5714285714286%
H: 35.7142857142857%
O: 14.2857142857143%
N: 21.4285714285714%
Weight
127.103
Programa de Cálculo
G16
SMILES
NC(N(C=CO1)C1=N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H5N3O2/c5-3(8)7-1-2-9-4(7)6/h1-2,6H,(H2,5,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ABWZLKDUAYUHDJ-UHFFFAOYSA-N