Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N4O
Datos Químicos de C4H6N4O
ID
131219
Molecular Scaffold
gKT@ADiYi@@
Molecular Formula
C4H6N4O
Elemental Composition %
C: 26.6666666666667%
H: 40%
O: 6.66666666666667%
N: 26.6666666666667%
Weight
126.119
Programa de Cálculo
G16
SMILES
N=CNc1n[nH]c(O)c1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N4O/c5-2-6-3-1-4(9)8-7-3/h1-2H,(H4,5,6,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QITMHHIJYRVIEJ-UHFFFAOYSA-N