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January 28, 2026
C4H6N4O
Datos Químicos de C4H6N4O
ID
131677
Molecular Scaffold
gF|@ALeJfsT`OxdP
Molecular Formula
C4H6N4O
Elemental Composition %
C: 26.6666666666667%
H: 40%
O: 6.66666666666667%
N: 26.6666666666667%
Weight
126.119
Programa de Cálculo
G16
SMILES
[NH]C1=C(CO)C=N[N]N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N4O/c5-4-3(2-9)1-6-8-7-4/h1,5,7-9H,2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HAOAQLLCSHVVAT-UHFFFAOYSA-N