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January 28, 2026
C3H2N4O
Datos Químicos de C3H2N4O
ID
21770
Molecular Scaffold
daDh@DqnAIeUnZZX@_pfHr@
Molecular Formula
C3H2N4O
Elemental Composition %
C: 30%
H: 20%
O: 10%
N: 40%
Weight
110.076
Programa de Cálculo
G16
SMILES
O=C1N=C[N]N=C[N]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N4O/c8-3-4-1-6-7-2-5-3/h1-2H,(H2,4,5,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VOLLWYRBOZZKMR-UHFFFAOYSA-N