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January 28, 2026
C4H6N4O
Datos Químicos de C4H6N4O
ID
129279
Molecular Scaffold
diTh@HJfAJV]rnFejj@@
Molecular Formula
C4H6N4O
Elemental Composition %
C: 26.6666666666667%
H: 40%
O: 6.66666666666667%
N: 26.6666666666667%
Weight
126.119
Programa de Cálculo
G16
SMILES
N=C1ON=C2N1CCN2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N4O/c5-3-8-2-1-6-4(8)7-9-3/h5H,1-2H2,(H,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NNIFJCFFERCBLG-UHFFFAOYSA-N