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January 28, 2026
C2H3N5O
Datos Químicos de C2H3N5O
ID
21513
Molecular Scaffold
gKR@ADTiVi@@
Molecular Formula
C2H3N5O
Elemental Composition %
C: 18.1818181818182%
H: 27.2727272727273%
O: 9.09090909090909%
N: 45.4545454545455%
Weight
113.08
Programa de Cálculo
G16
SMILES
NC(n1nncn1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H3N5O/c3-2(8)7-5-1-4-6-7/h1H,(H2,3,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KWJGNLIHELNBDN-UHFFFAOYSA-N