![3-Benzyl-6-methyl-dioxo-4,5,6,7-tetrahydro-1,2,3-triazolo[4,5-D]pyrimidine](/api/spectrum/2aUGAqXqDOG/structure.png?h=300&w=458 "3-Benzyl-6-methyl-dioxo-4,5,6,7-tetrahydro-1,2,3-triazolo[4,5-D]pyrimidine")
| SpectraBase Compound ID | 7LMBfU4W0GS |
|---|---|
| InChI | InChI=1S/C12H11N5O2/c1-16-11(18)9-10(13-12(16)19)17(15-14-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,19) |
| InChIKey | TUMBCMAAUZKQJG-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 | 2aUGAqXqDOG |
|---|---|
| Name | 3-Benzyl-6-methyl-dioxo-4,5,6,7-tetrahydro-1,2,3-triazolo[4,5-D]pyrimidine |
| 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/c1-16-11(18)9-10(13-12(16)19)17(15-14-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,19) |
| InChIKey | TUMBCMAAUZKQJG-UHFFFAOYSA-N |
| SMILES | C1(N(C(NC=2N(N=NC12)CC1=CC=CC=C1)=O)C)=O |