For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(5-Amino-1H-1,2,4-triazol-3-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SpectraBase Compound ID HaXYicuxu12
InChI InChI=1S/C11H20N6O2/c12-11-13-9(14-15-11)1-2-10(19)17-5-3-16(4-6-17)7-8-18/h18H,1-8H2,(H3,12,13,14,15)
InChIKey YFQZHAARAPKBNJ-UHFFFAOYSA-N
Mol Weight 268.32 g/mol
Molecular Formula C11H20N6O2
Exact Mass 268.164774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID D0I3OQsdVB4
Name 3-(5-Amino-1H-1,2,4-triazol-3-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.164773906 u
Formula C11H20N6O2
InChI InChI=1S/C11H20N6O2/c12-11-13-9(14-15-11)1-2-10(19)17-5-3-16(4-6-17)7-8-18/h18H,1-8H2,(H3,12,13,14,15)
InChIKey YFQZHAARAPKBNJ-UHFFFAOYSA-N
Molecular Weight 268.321 g/mol
SMILES C(CN1CCN(C(=O)CCC=2N=C(N)NN2)CC1)O