Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H4N4O
Datos Químicos de C4H4N4O
ID
129255
Molecular Scaffold
diTh@LIaAJYuJnFfiZ@@
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
N=C1OCc2cnnn12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N4O/c5-4-8-3(2-9-4)1-6-7-8/h1,5H,2H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IJQPUMMVQVYJGF-UHFFFAOYSA-N