Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5N3O
Datos Químicos de C5H5N3O
ID
123693
Molecular Scaffold
diwH@JxPRe[XPfxZiijRDd@
Molecular Formula
C5H5N3O
Elemental Composition %
C: 35.7142857142857%
H: 35.7142857142857%
O: 7.14285714285714%
N: 21.4285714285714%
Weight
123.115
Programa de Cálculo
G16
SMILES
C1c2n[nH]nc2[C@@H]2O[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H5N3O/c1-2-4(7-8-6-2)5-3(1)9-5/h3,5H,1H2,(H,6,7,8)/t3-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WCYFXMXCPDUKBS-UCORVYFPSA-N