Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
35359
Molecular Scaffold
dnE@@@IJfhfjji@dHG|IFD`
Molecular Formula
C6H7N3
Elemental Composition %
C: 37.5%
H: 43.75%
O: 0%
N: 18.75%
Weight
121.143
Programa de Cálculo
G16
SMILES
N#C[C@@H](C1)N2[C@]1[N]CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N3/c7-4-5-3-6-8-1-2-9(5)6/h5-6,8-9H,1-3H2/t5-,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LFCACJBSWSGSAV-PHDIDXHHSA-N