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January 28, 2026
C2H2N6O
Datos Químicos de C2H2N6O
ID
130105
Molecular Scaffold
dafh@HpjxDi[iniZi@@
Molecular Formula
C2H2N6O
Elemental Composition %
C: 18.1818181818182%
H: 18.1818181818182%
O: 9.09090909090909%
N: 54.5454545454545%
Weight
126.079
Programa de Cálculo
G16
SMILES
Nc1nn2nnoc2n1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H2N6O/c3-1-4-2-8(5-1)6-7-9-2/h(H2,3,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UCYKUIXZFLDGGS-UHFFFAOYSA-N