Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H5N3O
Datos Químicos de C5H5N3O
ID
123714
Molecular Scaffold
diwH@FxPRfWhfxZjjirIdi@aLrl@
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
C1N2N=N[C@@]3[C@@]2[C@@H]1OC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N3O/c1-4-5-3(2-9-4)6-7-8(1)5/h3-5H,1-2H2/t3-,4+,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SGNLNHRKVMUZRI-LMVFSUKVSA-N