Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7N3O
Datos Químicos de C5H7N3O
ID
25016
Molecular Scaffold
diWH@LI`rQQEPjxZYjh@@
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
N=C(N1)OC=C1N1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N3O/c6-5-7-4(3-9-5)8-1-2-8/h3H,1-2H2,(H2,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MXDOPRVFZVUGDD-UHFFFAOYSA-N