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January 28, 2026
C6H9N3
Datos Químicos de C6H9N3
ID
28463
Molecular Scaffold
gFt@AdiTt@@@
Molecular Formula
C6H9N3
Elemental Composition %
C: 33.3333333333333%
H: 50%
O: 0%
N: 16.6666666666667%
Weight
123.158
Programa de Cálculo
G16
SMILES
Cc1c(C)nc(N)nc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9N3/c1-4-3-8-6(7)9-5(4)2/h3H,1-2H3,(H2,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IELZPOFKHRZRGS-UHFFFAOYSA-N