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January 28, 2026
C6H9N3
Datos Químicos de C6H9N3
ID
127842
Molecular Scaffold
gFt@ADiTvZdADv@
Molecular Formula
C6H9N3
Elemental Composition %
C: 33.3333333333333%
H: 50%
O: 0%
N: 16.6666666666667%
Weight
123.158
Programa de Cálculo
G16
SMILES
C[N]C1=C[CH]N(C)N=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N3/c1-7-6-3-4-9(2)8-5-6/h3-5,7H,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GIPILFOADFPIJM-UHFFFAOYSA-N