![2-[5-(Pyridin-4-yl)-1H-1,2,4-triazol-3-yl]aniline](/api/spectrum/fHiI7i2LwW/structure.png?h=300&w=458 "2-[5-(Pyridin-4-yl)-1H-1,2,4-triazol-3-yl]aniline")
| SpectraBase Compound ID | 37usjJU6qhS |
|---|---|
| InChI | InChI=1S/C13H11N5/c14-11-4-2-1-3-10(11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-8H,14H2,(H,16,17,18) |
| InChIKey | JGODTGGRKRVWEI-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 | fHiI7i2LwW |
|---|---|
| Name | 2-[5-(Pyridin-4-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/c14-11-4-2-1-3-10(11)13-16-12(17-18-13)9-5-7-15-8-6-9/h1-8H,14H2,(H,16,17,18) |
| InChIKey | JGODTGGRKRVWEI-UHFFFAOYSA-N |
| Molecular Weight | 237.266 g/mol |
| SMILES | C1=CC=CC(=C1N)C1=NNC(=N1)C=1C=CN=CC1 |