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January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
74608
Molecular Scaffold
daW@@@[djYRhfkjjjkHQRdC~BSLqdy@
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@@]1N([CH][N][C@@H]23)[C@H]2[C@H]3[N]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N3/c1-3-8-5-4-6(5)9(3)2-7-4/h2-8H,1H3/t3-,4+,5-,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MLXBMEMGJBILBE-BGPJRJDNSA-N