Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H3N3O2
Datos Químicos de C4H3N3O2
ID
129176
Molecular Scaffold
diWD@HxPIJVurfzfZZ@@
Molecular Formula
C4H3N3O2
Elemental Composition %
C: 33.3333333333333%
H: 25%
O: 16.6666666666667%
N: 25%
Weight
125.087
Programa de Cálculo
G16
SMILES
N=C1Oc(onc2)c2N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H3N3O2/c5-4-7-2-1-6-9-3(2)8-4/h1H,(H2,5,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CCCSGDMXOPHQGD-UHFFFAOYSA-N