Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H4N4O
Datos Químicos de C4H4N4O
ID
129092
Molecular Scaffold
daGH@HK`ReUijVf@G|Pv@
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][C@@]1N=CON=CC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H5N4O/c5-3-1-8-9-2-7-4(3)6/h1-2,4-6H/t4-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NINQFMWXJDWQIN-SCSAIBSYSA-N