![3-{[(2-pyridyl)methylene]amino}-1H-1,2,4-triazole](/api/spectrum/6hq3s1cVTTI/structure.png?h=300&w=458 "3-{[(2-pyridyl)methylene]amino}-1H-1,2,4-triazole")
| SpectraBase Compound ID | Lm4auNp9UWR |
|---|---|
| InChI | InChI=1S/C8H7N5/c1-2-4-9-7(3-1)5-10-8-11-6-12-13-8/h1-6H,(H,11,12,13)/b10-5+ |
| InChIKey | AEALGZNZNJEHKA-BJMVGYQFSA-N |
| Mol Weight | 173.18 g/mol |
| Molecular Formula | C8H7N5 |
| Exact Mass | 173.070145 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 | 6hq3s1cVTTI |
|---|---|
| Name | 3-{[(2-pyridyl)methylene]amino}-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.070145245 u |
| Formula | C8H7N5 |
| InChI | InChI=1S/C8H7N5/c1-2-4-9-7(3-1)5-10-8-11-6-12-13-8/h1-6H,(H,11,12,13)/b10-5+ |
| InChIKey | AEALGZNZNJEHKA-BJMVGYQFSA-N |
| Molecular Weight | 173.179 g/mol |
| SMILES | C=1(N=CNN1)\N=C\C=1N=CC=CC1 |