Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N4O
Datos Químicos de C4H6N4O
ID
125694
Molecular Scaffold
gK@ALeKcMH@
Molecular Formula
C4H6N4O
Elemental Composition %
C: 26.6666666666667%
H: 40%
O: 6.66666666666667%
N: 26.6666666666667%
Weight
126.119
Programa de Cálculo
G16
SMILES
Cc1n[nH]nc1OC=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N4O/c1-3-4(9-2-5)7-8-6-3/h2,5H,1H3,(H,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CNKMZHTZOCPDHA-UHFFFAOYSA-N