Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7N3
Datos Químicos de C5H7N3
ID
14539
Molecular Scaffold
gJx@@eLmcUThl`@
Molecular Formula
C5H7N3
Elemental Composition %
C: 33.3333333333333%
H: 46.6666666666667%
O: 0%
N: 20%
Weight
109.132
Programa de Cálculo
G16
SMILES
N[C@@]1([C@@H]2NC[C@H]12)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N3/c6-2-5(7)3-1-8-4(3)5/h3-4,8H,1,7H2/t3-,4+,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XSSGXTUVHMJNEX-WISUUJSJSA-N