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January 28, 2026
C6H9N3
Datos Químicos de C6H9N3
ID
127922
Molecular Scaffold
gO|@AJeJqtr@@
Molecular Formula
C6H9N3
Elemental Composition %
C: 33.3333333333333%
H: 50%
O: 0%
N: 16.6666666666667%
Weight
123.158
Programa de Cálculo
G16
SMILES
CC(C=C1)=NN/C1=NC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9N3/c1-5-3-4-6(7-2)9-8-5/h3-4H,1-2H3,(H,7,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HYZCFRINYLXCRX-UHFFFAOYSA-N