Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N4
Datos Químicos de C5H6N4
ID
123962
Molecular Scaffold
diT`@@saReURkaZje`@
Molecular Formula
C5H6N4
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 0%
N: 26.6666666666667%
Weight
122.131
Programa de Cálculo
G16
SMILES
C1N=CNc2c1cn[nH]2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6N4/c1-4-2-8-9-5(4)7-3-6-1/h2-3H,1H2,(H2,6,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HCKWIDXZRSTLMG-UHFFFAOYSA-N