![[1,2,3]Triazolo[4,5-d]pyrimidin-7-one, 3-benzyl-5-methyl-3,6-dihydro-](/api/spectrum/C2O6q2nxcw8/structure.png?h=300&w=458 "[1,2,3]Triazolo[4,5-d]pyrimidin-7-one, 3-benzyl-5-methyl-3,6-dihydro-")
| SpectraBase Compound ID | 2M2Ky8zpgYk |
|---|---|
| InChI | InChI=1S/C12H11N5O/c1-8-13-11-10(12(18)14-8)15-16-17(11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14,18) |
| InChIKey | LHLLYOFPMYOQAO-UHFFFAOYSA-N |
| Mol Weight | 241.25 g/mol |
| Molecular Formula | C12H11N5O |
| Exact Mass | 241.09636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C2O6q2nxcw8 |
|---|---|
| Name | [1,2,3]Triazolo[4,5-D]pyrimidin-7-one, 3-benzyl-5-methyl-3,6-dihydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.096359993 u |
| Formula | C12H11N5O |
| InChI | InChI=1S/C12H11N5O/c1-8-13-11-10(12(18)14-8)15-16-17(11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14,18) |
| InChIKey | LHLLYOFPMYOQAO-UHFFFAOYSA-N |
| Molecular Weight | 241.254 g/mol |
| SMILES | C12=C(N=NN2CC2=CC=CC=C2)C(=O)NC(=N1)C |