A1I8Z
Summary
| Name: | (3~{R})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-1-ol |
| Formula: | C13 H14 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 291.736 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H14ClN5O/c1-8(3-5-20)19-7-11(17-18-19)12-9-2-4-15-13(9)16-6-10(12)14/h2,4,6-8,20H,3,5H2,1H3,(H,15,16)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | HSNOEVRDARBPHZ-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CCO)n1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | C[CH](CCO)n1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CCO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl |
