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January 28, 2026
C6H9N3
Datos Químicos de C6H9N3
ID
129592
Molecular Scaffold
dae@@@aJW[B[iji`@
Molecular Formula
C6H9N3
Elemental Composition %
C: 33.3333333333333%
H: 50%
O: 0%
N: 16.6666666666667%
Weight
123.158
Programa de Cálculo
G16
SMILES
Nc1c(C2CC2)cn[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9N3/c7-6-5(3-8-9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MVVJHFJQYGHJMW-UHFFFAOYSA-N