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January 28, 2026
C4H4N4O
Datos Químicos de C4H4N4O
ID
130663
Molecular Scaffold
diTh@DpfAIeUinEjjjbhC~BQLPdk@
Molecular Formula
C4H4N4O
Elemental Composition %
C: 30.7692307692308%
H: 30.7692307692308%
O: 7.69230769230769%
N: 30.7692307692308%
Weight
124.103
Programa de Cálculo
G16
SMILES
O=C1[N][N]N(CC2)[C@@]2[N]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N4O/c9-4-5-3-1-2-8(3)7-6-4/h3,7H,1-2H2,(H2,5,6,9)/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QFWHYRCXTOKLFK-GSVOUGTGSA-N