Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11N3
Datos Químicos de C6H11N3
ID
124510
Molecular Scaffold
gK@ADeKbuH@
Molecular Formula
C6H11N3
Elemental Composition %
C: 30%
H: 55%
O: 0%
N: 15%
Weight
125.174
Programa de Cálculo
G16
SMILES
CC(C)c1cn(C)nn1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11N3/c1-5(2)6-4-9(3)8-7-6/h4-5H,1-3H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HDESJOJBCFELOF-UHFFFAOYSA-N