Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H6N2O2
Datos Químicos de C5H6N2O2
ID
127587
Molecular Scaffold
gKT@ADiYi@@
Molecular Formula
C5H6N2O2
Elemental Composition %
C: 33.3333333333333%
H: 40%
O: 13.3333333333333%
N: 13.3333333333333%
Weight
126.115
Programa de Cálculo
G16
SMILES
Cn1ncc(C=O)c1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H6N2O2/c1-7-5(9)4(3-8)2-6-7/h2-3,9H,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VYCPFWWCEBWVLH-UHFFFAOYSA-N