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January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
129062
Molecular Scaffold
dae@@@aJeoFkjif`ADP`
Molecular Formula
C6H7N3
Elemental Composition %
C: 37.5%
H: 43.75%
O: 0%
N: 18.75%
Weight
121.143
Programa de Cálculo
G16
SMILES
[NH]C1=C[N]N(CC2)C2=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8N3/c7-5-3-6-1-2-9(6)8-4-5/h3-4,7-8H,1-2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YOYORQUYHUZLRO-UHFFFAOYSA-N