Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9N3O
Datos Químicos de C5H9N3O
ID
128463
Molecular Scaffold
gK@ADeKbuH@
Molecular Formula
C5H9N3O
Elemental Composition %
C: 27.7777777777778%
H: 50%
O: 5.55555555555556%
N: 16.6666666666667%
Weight
127.146
Programa de Cálculo
G16
SMILES
C[C@@H](c1cnn[nH]1)OC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N3O/c1-4(9-2)5-3-6-8-7-5/h3-4H,1-2H3,(H,6,7,8)/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VCLUBNOEVAGASR-BYPYZUCNSA-N