Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N4
Datos Químicos de C5H6N4
ID
129063
Molecular Scaffold
dag@@@adiebzffjicDC~Hs@
Molecular Formula
C5H6N4
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 0%
N: 26.6666666666667%
Weight
122.131
Programa de Cálculo
G16
SMILES
[NH]C1=N[C@](CC2)N2N=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N4/c6-4-3-7-9-2-1-5(9)8-4/h3,5-6H,1-2H2/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AAOBGOXUCOJFQX-YFKPBYRVSA-N