Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H4N4O
Datos Químicos de C4H4N4O
ID
124019
Molecular Scaffold
diTh@HpaAJVurnFijf@G|IBM`
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
C1N[CH]N=C2O[N]N=C12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H5N4O/c1-3-4(6-2-5-1)9-8-7-3/h2,5,8H,1H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
COHDBJVLWQAAHD-UHFFFAOYSA-N