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January 28, 2026
C2H4N4
Datos Químicos de C2H4N4
ID
761
Molecular Scaffold
gK@ADeKbuH@
Molecular Formula
C2H4N4
Elemental Composition %
C: 20%
H: 40%
O: 0%
N: 40%
Weight
84.0818
Programa de Cálculo
G16
SMILES
Nc1c[nH]nn1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JSIAIROWMJGMQZ-UHFFFAOYSA-N