Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7N3O
Datos Químicos de C5H7N3O
ID
64604
Molecular Scaffold
gF|@AjeKxmS@@
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
C[C@@]1(C=O)N=CNC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N3O/c1-5(2-9)4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8)/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ARXXHEMLKUIQBW-YFKPBYRVSA-N