A1I8S
Summary
| Name: | 2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanol |
| Formula: | C11 H10 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 263.683 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H10ClN5O/c12-8-5-14-11-7(1-2-13-11)10(8)9-6-17(3-4-18)16-15-9/h1-2,5-6,18H,3-4H2,(H,13,14) |
| InChIKey | InChI | 1.06 | VOHMYJMPPHXBIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | OCCn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)CCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)CCO |
