TVI
Summary
| Name: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol |
| Formula: | C12 H14 Br N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 340.176 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14BrN5O2/c13-8-1-10(3-14-2-8)20-7-9-6-18(17-16-9)11-4-15-5-12(11)19/h1-3,6,11-12,15,19H,4-5,7H2/t11-,12-/m1/s1 |
| InChIKey | InChI | 1.06 | GZDISGCMSVDHKR-VXGBXAGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CNC[C@H]1n2cc(COc3cncc(Br)c3)nn2 |
| SMILES | CACTVS | 3.385 | O[CH]1CNC[CH]1n2cc(COc3cncc(Br)c3)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cncc1Br)OCc2cn(nn2)[C@@H]3CNC[C@H]3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cncc1Br)OCc2cn(nn2)C3CNCC3O |
