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January 28, 2026
C2H4N6O
Datos Químicos de C2H4N6O
ID
129484
Molecular Scaffold
gKZ@AEbeKcKP@
Molecular Formula
C2H4N6O
Elemental Composition %
C: 15.3846153846154%
H: 30.7692307692308%
O: 7.69230769230769%
N: 46.1538461538462%
Weight
128.095
Programa de Cálculo
G16
SMILES
NC(Cn1nnnn1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H4N6O/c3-2(9)1-8-6-4-5-7-8/h1H2,(H2,3,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GYWXMSFAGKGALH-UHFFFAOYSA-N