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January 28, 2026
C5H3N3O
Datos Químicos de C5H3N3O
ID
130590
Molecular Scaffold
diWH@BxPRYeZ[aZejP@
Molecular Formula
C5H3N3O
Elemental Composition %
C: 41.6666666666667%
H: 25%
O: 8.33333333333333%
N: 25%
Weight
121.099
Programa de Cálculo
G16
SMILES
O=C(C=C1)c2c1nn[nH]2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H3N3O/c9-4-2-1-3-5(4)7-8-6-3/h1-2H,(H,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PYMCZFDZJUPXHG-UHFFFAOYSA-N