Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N4O
Datos Químicos de C4H6N4O
ID
127178
Molecular Scaffold
gK@ADeKbuH@
Molecular Formula
C4H6N4O
Elemental Composition %
C: 26.6666666666667%
H: 40%
O: 6.66666666666667%
N: 26.6666666666667%
Weight
126.119
Programa de Cálculo
G16
SMILES
CN(C=O)c1c[nH]nn1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N4O/c1-8(3-9)4-2-5-7-6-4/h2-3H,1H3,(H,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NWZLQXUTNCCAON-UHFFFAOYSA-N