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January 28, 2026
C5H3N3
Datos Químicos de C5H3N3
ID
5351
Molecular Scaffold
gFt@AdiTt@@@
Molecular Formula
C5H3N3
Elemental Composition %
C: 45.4545454545455%
H: 27.2727272727273%
O: 0%
N: 27.2727272727273%
Weight
105.1
Programa de Cálculo
G16
SMILES
N#Cc1cncnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XVIAPHVAGFEFFN-UHFFFAOYSA-N