Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N4
Datos Químicos de C5H8N4
ID
126787
Molecular Scaffold
gF|@ALeJfsT`OxfP
Molecular Formula
C5H8N4
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 0%
N: 23.5294117647059%
Weight
124.147
Programa de Cálculo
G16
SMILES
CCN1N=CC([NH])=C[N]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N4/c1-2-9-7-3-5(6)4-8-9/h3-4,6-7H,2H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RIEJHQNNTWISPW-UHFFFAOYSA-N