A1I8X
Summary
| Name: | 2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanamide |
| Formula: | C11 H9 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 276.682 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]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9ClN6O/c12-7-3-15-11-6(1-2-14-11)10(7)8-4-18(17-16-8)5-9(13)19/h1-4H,5H2,(H2,13,19)(H,14,15) |
| InChIKey | InChI | 1.06 | DHQUJKOJRVQESG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | NC(=O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)CC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)CC(=O)N |
