![4-[5-(Pyridin-4-yl)-1H-1,2,4-triazol-3-yl]aniline](/api/spectrum/14ZOtIcz2zA/structure.png?h=300&w=458 "4-[5-(Pyridin-4-yl)-1H-1,2,4-triazol-3-yl]aniline")
| SpectraBase Compound ID | 9j5wo2liulx |
|---|---|
| InChI | InChI=1S/C13H11N5/c14-11-3-1-9(2-4-11)12-16-13(18-17-12)10-5-7-15-8-6-10/h1-8H,14H2,(H,16,17,18) |
| InChIKey | BOULWMFJNQEXOE-UHFFFAOYSA-N |
| Mol Weight | 237.27 g/mol |
| Molecular Formula | C13H11N5 |
| Exact Mass | 237.101445 g/mol |
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 | 14ZOtIcz2zA |
|---|---|
| Name | 4-[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/c14-11-3-1-9(2-4-11)12-16-13(18-17-12)10-5-7-15-8-6-10/h1-8H,14H2,(H,16,17,18) |
| InChIKey | BOULWMFJNQEXOE-UHFFFAOYSA-N |
| Molecular Weight | 237.266 g/mol |
| SMILES | C1=C(C=CC(=C1)C1=NNC(=N1)C=1C=CN=CC1)N |