Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C3H7N5
Datos Químicos de C3H7N5
ID
21655
Molecular Scaffold
gKT@ADiYi@@
Molecular Formula
C3H7N5
Elemental Composition %
C: 20%
H: 46.6666666666667%
O: 0%
N: 33.3333333333333%
Weight
113.124
Programa de Cálculo
G16
SMILES
Nc1c(N)[nH]nc1N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H7N5/c4-1-2(5)7-8-3(1)6/h4H2,(H5,5,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WXFKWEVAPSWLOI-UHFFFAOYSA-N