Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7N3O
Datos Químicos de C5H7N3O
ID
124298
Molecular Scaffold
gK@ADeKbuH@
Molecular Formula
C5H7N3O
Elemental Composition %
C: 31.25%
H: 43.75%
O: 6.25%
N: 18.75%
Weight
125.131
Programa de Cálculo
G16
SMILES
CC(Cc1cnn[nH]1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N3O/c1-4(9)2-5-3-6-8-7-5/h3H,2H2,1H3,(H,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
REVXNXUDQYGQBL-UHFFFAOYSA-N