![(4-Benzyl-piperazin-1-yl)-(1H-[1,2,4]triazol-3-yl)-methanone](/api/spectrum/EPPa9Ccglui/structure.png?h=300&w=458 "(4-Benzyl-piperazin-1-yl)-(1H-[1,2,4]triazol-3-yl)-methanone")
| SpectraBase Compound ID | 6Y2QTIf6DeA |
|---|---|
| InChI | InChI=1S/C14H17N5O/c20-14(13-15-11-16-17-13)19-8-6-18(7-9-19)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,16,17) |
| InChIKey | YPDUKPMDFAZLGT-UHFFFAOYSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C14H17N5O |
| Exact Mass | 271.14331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPPa9Ccglui |
|---|---|
| Name | (4-Benzyl-piperazin-1-yl)-(1H-[1,2,4]triazol-3-yl)-methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.143310186 u |
| Formula | C14H17N5O |
| InChI | InChI=1S/C14H17N5O/c20-14(13-15-11-16-17-13)19-8-6-18(7-9-19)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,16,17) |
| InChIKey | YPDUKPMDFAZLGT-UHFFFAOYSA-N |
| SMILES | C=1(C(N2CCN(CC3=CC=CC=C3)CC2)=O)N=CNN1 |