Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N4
Datos Químicos de C5H6N4
ID
127357
Molecular Scaffold
dad`@@`nRemrfzZjT@@
Molecular Formula
C5H6N4
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 0%
N: 26.6666666666667%
Weight
122.131
Programa de Cálculo
G16
SMILES
Cn1c2n[nH]cc2nc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6N4/c1-9-3-6-4-2-7-8-5(4)9/h2-3H,1H3,(H,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HKCOXZPPDUOUAZ-UHFFFAOYSA-N