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January 28, 2026
C4H8N4
Datos Químicos de C4H8N4
ID
21033
Molecular Scaffold
gK@ABeKcMH@
Molecular Formula
C4H8N4
Elemental Composition %
C: 25%
H: 50%
O: 0%
N: 25%
Weight
112.136
Programa de Cálculo
G16
SMILES
Cc1nn(C)c(N)n1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N4/c1-3-6-4(5)8(2)7-3/h1-2H3,(H2,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LSSJKEGYOGBWTN-UHFFFAOYSA-N