Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H4N4O
Datos Químicos de C4H4N4O
ID
129123
Molecular Scaffold
gF|@AjeJfmM@OxeP
Molecular Formula
C4H4N4O
Elemental Composition %
C: 30.7692307692308%
H: 30.7692307692308%
O: 7.69230769230769%
N: 30.7692307692308%
Weight
124.103
Programa de Cálculo
G16
SMILES
[NH]C1=NC=C[N]N1C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H5N4O/c5-4-6-1-2-7-8(4)3-9/h1-3,5,7H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OBRLMGMSYFTWRD-UHFFFAOYSA-N