| SpectraBase Compound ID | 8AtRB8uEjoi |
|---|---|
| InChI | InChI=1S/C11H14N6O/c12-11-15-9(16-17-11)4-5-10(18)14-7-8-3-1-2-6-13-8/h1-3,6H,4-5,7H2,(H,14,18)(H3,12,15,16,17) |
| InChIKey | PSKLPMXIYQUOPZ-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C11H14N6O |
| Exact Mass | 246.122909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FmHJbtboK7 |
|---|---|
| Name | 3-(5-Amino-1H-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.122909094 u |
| Formula | C11H14N6O |
| InChI | InChI=1S/C11H14N6O/c12-11-15-9(16-17-11)4-5-10(18)14-7-8-3-1-2-6-13-8/h1-3,6H,4-5,7H2,(H,14,18)(H3,12,15,16,17) |
| InChIKey | PSKLPMXIYQUOPZ-UHFFFAOYSA-N |
| Molecular Weight | 246.274 g/mol |
| SMILES | C1=CC=CN=C1CNC(CCC=1N=C(NN1)N)=O |