Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5N3
Datos Químicos de C5H5N3
ID
5045
Molecular Scaffold
gOt@@tiUkei`G|Rx
Molecular Formula
C5H5N3
Elemental Composition %
C: 38.4615384615385%
H: 38.4615384615385%
O: 0%
N: 23.0769230769231%
Weight
107.116
Programa de Cálculo
G16
SMILES
[NH]C1=N[CH]C=CN=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5N3/c6-5-4-7-2-1-3-8-5/h1-4,6H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GJFGAZUKZHEMHO-UHFFFAOYSA-N