![Isoindole-1,3(2H)-dione, 2-[2-(5-amino-1,2,4-triazol-3-yl)ethyl]-](/api/spectrum/BVlReOt39OO/structure.png?h=300&w=458 "Isoindole-1,3(2H)-dione, 2-[2-(5-amino-1,2,4-triazol-3-yl)ethyl]-")
| SpectraBase Compound ID | 1fpR0UCbP9Q |
|---|---|
| InChI | InChI=1S/C12H11N5O2/c13-12-14-9(15-16-12)5-6-17-10(18)7-3-1-2-4-8(7)11(17)19/h1-4H,5-6H2,(H3,13,14,15,16) |
| InChIKey | KSDXFQADPHAOLF-UHFFFAOYSA-N |
| Mol Weight | 257.25 g/mol |
| Molecular Formula | C12H11N5O2 |
| Exact Mass | 257.091275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVlReOt39OO |
|---|---|
| Name | Isoindole-1,3(2H)-dione, 2-[2-(5-amino-1,2,4-triazol-3-yl)ethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.091274612 u |
| Formula | C12H11N5O2 |
| InChI | InChI=1S/C12H11N5O2/c13-12-14-9(15-16-12)5-6-17-10(18)7-3-1-2-4-8(7)11(17)19/h1-4H,5-6H2,(H3,13,14,15,16) |
| InChIKey | KSDXFQADPHAOLF-UHFFFAOYSA-N |
| SMILES | C1=C2C(=CC=C1)C(=O)N(C2=O)CCC=1N=C(NN1)N |