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January 28, 2026
C3H3N5O
Datos Químicos de C3H3N5O
ID
130113
Molecular Scaffold
dadh@HJfAJVwJ[jVjP@
Molecular Formula
C3H3N5O
Elemental Composition %
C: 25%
H: 25%
O: 8.33333333333333%
N: 41.6666666666667%
Weight
125.091
Programa de Cálculo
G16
SMILES
Nc1nnc2oncn12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H3N5O/c4-2-6-7-3-8(2)1-5-9-3/h1H,(H2,4,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KPWNLGAZNSLTSY-UHFFFAOYSA-N