Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H9N3
Datos Químicos de C6H9N3
ID
125999
Molecular Scaffold
dnG@@@aDi[pjYji`@
Molecular Formula
C6H9N3
Elemental Composition %
C: 33.3333333333333%
H: 50%
O: 0%
N: 16.6666666666667%
Weight
123.158
Programa de Cálculo
G16
SMILES
C[C@@H]1c2c(C)nnn2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9N3/c1-4-3-9-6(4)5(2)7-8-9/h4H,3H2,1-2H3/t4-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RQWQKCFIZKFVSA-SCSAIBSYSA-N