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January 28, 2026
C5H7N3O
Datos Químicos de C5H7N3O
ID
45513
Molecular Scaffold
diWH@Di`RYURkaZjjhJ@aBqd@
Molecular Formula
C5H7N3O
Elemental Composition %
C: 31.25%
H: 43.75%
O: 6.25%
N: 18.75%
Weight
125.131
Programa de Cálculo
G16
SMILES
O=C1N[C@]([N]CC2)N2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N3O/c9-4-3-8-2-1-6-5(8)7-4/h5-6H,1-3H2,(H,7,9)/t5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PZPIIIQNHZYSKR-RXMQYKEDSA-N