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3-(5-Amino-1H-1,2,4-triazol-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

View entire compound with spectra: 1 NMR

3-(5-Amino-1H-1,2,4-triazol-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SpectraBase Compound ID DItMZdW3hO4
InChI InChI=1S/C15H20N6O/c16-15-17-13(18-19-15)6-7-14(22)21-10-8-20(9-11-21)12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,16,17,18,19)
InChIKey NHSDSRHRSWQGKG-UHFFFAOYSA-N
Mol Weight 300.37 g/mol
Molecular Formula C15H20N6O
Exact Mass 300.169859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JwhcdMYupIM
Name 3-(5-Amino-1H-1,2,4-triazol-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.169859287 u
Formula C15H20N6O
InChI InChI=1S/C15H20N6O/c16-15-17-13(18-19-15)6-7-14(22)21-10-8-20(9-11-21)12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,16,17,18,19)
InChIKey NHSDSRHRSWQGKG-UHFFFAOYSA-N
Molecular Weight 300.366 g/mol
SMILES C1=CC=CC=C1N1CCN(C(CCC=2N=C(N)NN2)=O)CC1