Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H9N3
Datos Químicos de C6H9N3
ID
24130
Molecular Scaffold
diW@@@qdi][BxVfjh@@
Molecular Formula
C6H9N3
Elemental Composition %
C: 33.3333333333333%
H: 50%
O: 0%
N: 16.6666666666667%
Weight
123.158
Programa de Cálculo
G16
SMILES
C(c1cnc[nH]1)N1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9N3/c1-2-9(1)4-6-3-7-5-8-6/h3,5H,1-2,4H2,(H,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DKEMIZFMSJRJQF-UHFFFAOYSA-N