Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H4N4
Datos Químicos de C5H4N4
ID
43555
Molecular Scaffold
gKT@@dfVj@@
Molecular Formula
C5H4N4
Elemental Composition %
C: 38.4615384615385%
H: 30.7692307692308%
O: 0%
N: 30.7692307692308%
Weight
120.115
Programa de Cálculo
G16
SMILES
N=C([C@@H]1C#N)N[C@H]1C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H4N4/c6-1-3-4(2-7)9-5(3)8/h3-4H,(H2,8,9)/t3-,4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AZKZFIGRNSHJRD-IMJSIDKUSA-N