Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H4N4
Datos Químicos de C4H4N4
ID
20742
Molecular Scaffold
gK@ALeKcMH@
Molecular Formula
C4H4N4
Elemental Composition %
C: 33.3333333333333%
H: 33.3333333333333%
O: 0%
N: 33.3333333333333%
Weight
108.104
Programa de Cálculo
G16
SMILES
Cc1n[nH]nc1C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N4/c1-3-4(2-5)7-8-6-3/h1H3,(H,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KPYMARIPAPHSSJ-UHFFFAOYSA-N