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January 28, 2026
C5H5N3O
Datos Químicos de C5H5N3O
ID
123620
Molecular Scaffold
dnFH@BAIfRhfZjiDQPG|Qf@
Molecular Formula
C5H5N3O
Elemental Composition %
C: 35.7142857142857%
H: 35.7142857142857%
O: 7.14285714285714%
N: 21.4285714285714%
Weight
123.115
Programa de Cálculo
G16
SMILES
[N][N][C@@](CN1[C@@H]2C1)C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N3O/c6-7-3-1-8-2-4(8)5(3)9/h3-4,7-8H,1-2,6H2/t3-,4+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
USFGXABFTGXKLV-IUYQGCFVSA-N