| SpectraBase Compound ID | 5LQLEFQAkwt |
|---|---|
| InChI | InChI=1S/C11H15N7/c12-10-14-11(16-15-10)18-7-5-17(6-8-18)9-3-1-2-4-13-9/h1-4H,5-8H2,(H3,12,14,15,16) |
| InChIKey | DWTFDUPNDSPJFX-UHFFFAOYSA-N |
| Mol Weight | 245.29 g/mol |
| Molecular Formula | C11H15N7 |
| Exact Mass | 245.138894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FVE3gCd7e7M |
|---|---|
| Name | 1-(3-Amino-1H-1,2,4-triazol-5-yl)-4-(2-pyridyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.138893511 u |
| Formula | C11H15N7 |
| InChI | InChI=1S/C11H15N7/c12-10-14-11(16-15-10)18-7-5-17(6-8-18)9-3-1-2-4-13-9/h1-4H,5-8H2,(H3,12,14,15,16) |
| InChIKey | DWTFDUPNDSPJFX-UHFFFAOYSA-N |
| SMILES | NC=1N=C(N2CCN(C3=NC=CC=C3)CC2)NN1 |