![6-(4-Methyl-piperazin-1-yl)-3-pentafluoroethyl-[1,2,4]triazolo[3,4-a]phthalazine](/api/spectrum/B2YsbdKAm3s/structure.png?h=300&w=458 "6-(4-Methyl-piperazin-1-yl)-3-pentafluoroethyl-[1,2,4]triazolo[3,4-a]phthalazine")
| SpectraBase Compound ID | FYScuHNX4b1 |
|---|---|
| InChI | InChI=1S/C16H15F5N6/c1-25-6-8-26(9-7-25)13-11-5-3-2-4-10(11)12-22-23-14(27(12)24-13)15(17,18)16(19,20)21/h2-5H,6-9H2,1H3 |
| InChIKey | JEOOQVOZKMNTCD-UHFFFAOYSA-N |
| Mol Weight | 386.33 g/mol |
| Molecular Formula | C16H15F5N6 |
| Exact Mass | 386.127835 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2YsbdKAm3s |
|---|---|
| Name | 6-(4-Methyl-piperazin-1-yl)-3-pentafluoroethyl-[1,2,4]triazolo[3,4-a]phthalazine |
| Alternate Name(s) | 6-(4-Methylpiperazin-1-yl)-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[3,4-a]phthalazine 6-(4-Methylpiperazin-1-yl)-3-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-[1,2,4]triazolo[3,4-a]phthalazine 6-(4-Methylpiperazino)-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[3,4-a]phthalazine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H15F5N6 |
| InChI | InChI=1S/C16H15F5N6/c1-25-6-8-26(9-7-25)13-11-5-3-2-4-10(11)12-22-23-14(27(12)24-13)15(17,18)16(19,20)21/h2-5H,6-9H2,1H3 |
| InChIKey | JEOOQVOZKMNTCD-UHFFFAOYSA-N |
| Molecular Weight | 386.330 g/mol |
| SMILES | c1cc2-c3[n](c(C(C(F)(F)F)(F)F)nn3)N=C(c2cc1)N1CCN(CC1)C |
| SPLASH | splash10-00dj-9100000000-3403367e125babdf3f51 |
| Wiley ID | 1437311 |