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January 28, 2026
C4H6N4
Datos Químicos de C4H6N4
ID
21135
Molecular Scaffold
gOr@ACTiVKffP@
Molecular Formula
C4H6N4
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 0%
N: 28.5714285714286%
Weight
110.12
Programa de Cálculo
G16
SMILES
C/N=C1NN=CN=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N4/c1-5-4-2-6-3-7-8-4/h2-3H,1H3,(H,5,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QCRWOAMAPLPFAP-UHFFFAOYSA-N