Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H4N4
Datos Químicos de C4H4N4
ID
21377
Molecular Scaffold
dad`@@bfRfUrfzZeh@@
Molecular Formula
C4H4N4
Elemental Composition %
C: 33.3333333333333%
H: 33.3333333333333%
O: 0%
N: 33.3333333333333%
Weight
108.104
Programa de Cálculo
G16
SMILES
c1cnc2n1nc[nH]2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N4/c1-2-8-4(5-1)6-3-7-8/h1-3H,(H,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JXWWUSYEGMOXNU-UHFFFAOYSA-N