Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5N3O
Datos Químicos de C5H5N3O
ID
131297
Molecular Scaffold
gKT@ADiYi@@
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#CCn(cc1)nc1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5N3O/c6-2-4-8-3-1-5(9)7-8/h1,3H,4H2,(H,7,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YNGZILKLKXJJIB-UHFFFAOYSA-N