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January 28, 2026
C4H6N4
Datos Químicos de C4H6N4
ID
20820
Molecular Scaffold
gFr@AEdiTt@@@
Molecular Formula
C4H6N4
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 0%
N: 28.5714285714286%
Weight
110.12
Programa de Cálculo
G16
SMILES
CCc1nnnnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N4/c1-2-4-3-5-7-8-6-4/h3H,2H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VWOBEJGIBYYYIF-UHFFFAOYSA-N