![2-[5-(Pyridin-2-yl)-1H-1,2,4-triazol-3-yl]aniline](/api/spectrum/3Hb6HDSI0y2/structure.png?h=300&w=458 "2-[5-(Pyridin-2-yl)-1H-1,2,4-triazol-3-yl]aniline")
| SpectraBase Compound ID | JwjDLqAXL4U |
|---|---|
| InChI | InChI=1S/C13H11N5/c14-10-6-2-1-5-9(10)12-16-13(18-17-12)11-7-3-4-8-15-11/h1-8H,14H2,(H,16,17,18) |
| InChIKey | BRGVDBMZFWNCBT-UHFFFAOYSA-N |
| Mol Weight | 237.27 g/mol |
| Molecular Formula | C13H11N5 |
| Exact Mass | 237.101445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Hb6HDSI0y2 |
|---|---|
| Name | 2-[5-(Pyridin-2-yl)-1H-1,2,4-triazol-3-yl]aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.101445374 u |
| Formula | C13H11N5 |
| InChI | InChI=1S/C13H11N5/c14-10-6-2-1-5-9(10)12-16-13(18-17-12)11-7-3-4-8-15-11/h1-8H,14H2,(H,16,17,18) |
| InChIKey | BRGVDBMZFWNCBT-UHFFFAOYSA-N |
| Molecular Weight | 237.266 g/mol |
| SMILES | C1=CC=C(C(=C1)N)C1=NNC(=N1)C=1C=CC=CN1 |