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January 28, 2026
C2H4N6
Datos Químicos de C2H4N6
ID
21612
Molecular Scaffold
gFr@AcTiTuZX@
Molecular Formula
C2H4N6
Elemental Composition %
C: 16.6666666666667%
H: 33.3333333333333%
O: 0%
N: 50%
Weight
112.096
Programa de Cálculo
G16
SMILES
NC1=N=C([NH])NN=N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H4N6/c3-1-5-2(4)7-8-6-1/h3H,4H2,(H,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
URECONUSFCUGBI-UHFFFAOYSA-N