Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N4
Datos Químicos de C4H6N4
ID
20680
Molecular Scaffold
gF|@AJeJfsT`Oxfp
Molecular Formula
C4H6N4
Elemental Composition %
C: 28.5714285714286%
H: 42.8571428571429%
O: 0%
N: 28.5714285714286%
Weight
110.12
Programa de Cálculo
G16
SMILES
C[C@@](NN=C1)N=C1[NH]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N4/c1-3-7-4(5)2-6-8-3/h2-3,5,8H,1H3/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OJXWOHVNGPWJRE-GSVOUGTGSA-N