Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H5N3O2
Datos Químicos de C4H5N3O2
ID
130246
Molecular Scaffold
daeD@HHFrQJFXS]RuUEH@
Molecular Formula
C4H5N3O2
Elemental Composition %
C: 28.5714285714286%
H: 35.7142857142857%
O: 14.2857142857143%
N: 21.4285714285714%
Weight
127.103
Programa de Cálculo
G16
SMILES
Nc1noc([C@@H]2OC2)n1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H5N3O2/c5-4-6-3(9-7-4)2-1-8-2/h2H,1H2,(H2,5,7)/t2-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CGJCNMJMIICZNS-UWTATZPHSA-N