Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C3H4N4O
Datos Químicos de C3H4N4O
ID
21650
Molecular Scaffold
gO}@EjDfUkZZP@
Molecular Formula
C3H4N4O
Elemental Composition %
C: 25%
H: 33.3333333333333%
O: 8.33333333333333%
N: 33.3333333333333%
Weight
112.092
Programa de Cálculo
G16
SMILES
NC(C=N1)=NNC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N4O/c4-2-1-5-3(8)7-6-2/h1H,(H2,4,6)(H,5,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SHLBNNPCZLHMOE-UHFFFAOYSA-N