Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11N3
Datos Químicos de C6H11N3
ID
26401
Molecular Scaffold
gKT@AdiVf@@
Molecular Formula
C6H11N3
Elemental Composition %
C: 30%
H: 55%
O: 0%
N: 15%
Weight
125.174
Programa de Cálculo
G16
SMILES
CN(C)Cc1ncc[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11N3/c1-9(2)5-6-7-3-4-8-6/h3-4H,5H2,1-2H3,(H,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SJAACDLJWHJJFO-UHFFFAOYSA-N