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January 28, 2026
C3H2N4O2
Datos Químicos de C3H2N4O2
ID
131069
Molecular Scaffold
gFr@AEdiTt@@@
Molecular Formula
C3H2N4O2
Elemental Composition %
C: 27.2727272727273%
H: 18.1818181818182%
O: 18.1818181818182%
N: 36.3636363636364%
Weight
126.075
Programa de Cálculo
G16
SMILES
O=COc1nnnnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H2N4O2/c8-2-9-3-1-4-6-7-5-3/h1-2H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KEARPVVXYLAJBX-UHFFFAOYSA-N