Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H4N4
Datos Químicos de C5H4N4
ID
24871
Molecular Scaffold
gFt@AdiTuihADn@
Molecular Formula
C5H4N4
Elemental Composition %
C: 38.4615384615385%
H: 30.7692307692308%
O: 0%
N: 30.7692307692308%
Weight
120.115
Programa de Cálculo
G16
SMILES
[NH]C1=NC=C[C@@](C#N)N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5N4/c6-3-4-1-2-8-5(7)9-4/h1-2,4,7H,(H,8,9)/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WUUICBKGRXVXHM-BYPYZUCNSA-N