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January 28, 2026
C4H4N4O
Datos Químicos de C4H4N4O
ID
129784
Molecular Scaffold
dagH@Hi`ReUpfzejd@@
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
Nc1c2nc[nH]c2no1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N4O/c5-3-2-4(8-9-3)7-1-6-2/h1H,5H2,(H,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WXTHUVHJOVOTJI-UHFFFAOYSA-N