Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H5N5
Datos Químicos de C4H5N5
ID
27445
Molecular Scaffold
gO|@AbeJmZmL@bW@
Molecular Formula
C4H5N5
Elemental Composition %
C: 28.5714285714286%
H: 35.7142857142857%
O: 0%
N: 35.7142857142857%
Weight
123.119
Programa de Cálculo
G16
SMILES
N[C@@]1N=C([NH])=N=CN=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N5/c5-3-1-7-2-8-4(6)9-3/h1-3,6H,5H2/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RVYRFGUNMRJNFC-VKHMYHEASA-N