Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N4
Datos Químicos de C5H8N4
ID
127941
Molecular Scaffold
gO|@AJeJqtr@@
Molecular Formula
C5H8N4
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 0%
N: 23.5294117647059%
Weight
124.147
Programa de Cálculo
G16
SMILES
C/N=C1NN=CC=C1N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N4/c1-7-5-4(6)2-3-8-9-5/h2-3H,1H3,(H2,6,8)(H,7,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VMIYRVALYMOPKF-UHFFFAOYSA-N