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January 28, 2026
C4H4N4O
Datos Químicos de C4H4N4O
ID
131243
Molecular Scaffold
dad`@@bfRfUrfzZiX@@
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
Oc1cn2ncnc2[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N4O/c9-3-1-8-4(7-3)5-2-6-8/h1-2,9H,(H,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TZOPSELJXRUBMI-UHFFFAOYSA-N