TW0
Summary
| Name: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol |
| Formula: | C12 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 245.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H15N5O/c18-12-7-13-6-4-11(12)17-8-10(15-16-17)9-3-1-2-5-14-9/h1-3,5,8,11-13,18H,4,6-7H2/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.06 | HOLBWWKPFXUQIH-RYUDHWBXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CNCC[C@@H]1n2cc(nn2)c3ccccn3 |
| SMILES | CACTVS | 3.385 | O[CH]1CNCC[CH]1n2cc(nn2)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2cn(nn2)[C@H]3CCNC[C@@H]3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2cn(nn2)C3CCNCC3O |
