TWX
Summary
| Name: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol |
| Formula: | C13 H17 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 275.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17N5O2/c14-9-1-3-11(4-2-9)20-8-10-7-18(17-16-10)12-5-15-6-13(12)19/h1-4,7,12-13,15,19H,5-6,8,14H2/t12-,13-/m1/s1 |
| InChIKey | InChI | 1.06 | WHSXTRCFXOPSRO-CHWSQXEVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(OCc2cn(nn2)[C@@H]3CNC[C@H]3O)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(OCc2cn(nn2)[CH]3CNC[CH]3O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)OCc2cn(nn2)[C@@H]3CNC[C@H]3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)OCc2cn(nn2)C3CNCC3O |
