Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N4
Datos Químicos de C5H8N4
ID
126017
Molecular Scaffold
dad`@@pjRempfyjjjD`OxQLq@
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[C@@H]1N2[N]C=N[C@@]2NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N4/c1-4-2-6-5-7-3-8-9(4)5/h3-6H,2H2,1H3,(H,7,8)/t4-,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NLDZMARQLFZDOW-UHNVWZDZSA-N