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January 28, 2026
C2H3N3O
Datos Químicos de C2H3N3O
ID
786
Molecular Scaffold
gK@ALeKcMH@
Molecular Formula
C2H3N3O
Elemental Composition %
C: 22.2222222222222%
H: 33.3333333333333%
O: 11.1111111111111%
N: 33.3333333333333%
Weight
85.0658
Programa de Cálculo
G16
SMILES
Oc1n[nH]nc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QEASJVYPHMYPJM-UHFFFAOYSA-N