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January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
67770
Molecular Scaffold
daW@@@SdfY|Hf[fjjkLQQdC~DkNP
Molecular Formula
C6H7N3
Elemental Composition %
C: 37.5%
H: 43.75%
O: 0%
N: 18.75%
Weight
121.143
Programa de Cálculo
G16
SMILES
C[C@@]1([C@@H]2[C@@H]11)[N][CH]N2C1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8N3/c1-6-3-4(6)9(2-8-6)5(3)7/h2-4,7-8H,1H3/t3-,4+,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XQMQQPKJCXZIFD-ALEPSDHESA-N