![[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-methyl-2-(4-pyridinyl)-](/api/spectrum/CxUtuGGwYJ7/structure.png?h=300&w=458 "[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-methyl-2-(4-pyridinyl)-")
| SpectraBase Compound ID | 3Sji1vQBDng |
|---|---|
| InChI | InChI=1S/C11H9N5O/c1-7-6-9(17)16-11(13-7)14-10(15-16)8-2-4-12-5-3-8/h2-6H,1H3,(H,13,14,15) |
| InChIKey | MVGKSJAAJWFVLC-UHFFFAOYSA-N |
| Mol Weight | 227.23 g/mol |
| Molecular Formula | C11H9N5O |
| Exact Mass | 227.08071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxUtuGGwYJ7 |
|---|---|
| Name | [1,2,4]Triazolo[1,5-A]pyrimidin-7(4H)-one, 5-methyl-2-(4-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.080709929 u |
| Formula | C11H9N5O |
| InChI | InChI=1S/C11H9N5O/c1-7-6-9(17)16-11(13-7)14-10(15-16)8-2-4-12-5-3-8/h2-6H,1H3,(H,13,14,15) |
| InChIKey | MVGKSJAAJWFVLC-UHFFFAOYSA-N |
| Molecular Weight | 227.227 g/mol |
| SMILES | C1=CN=CC=C1C=1N=C2N(C(C=C(N2)C)=O)N1 |