JJ6
Summary
| Name: | [(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol |
| Formula: | C13 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 225.246 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol |
| OpenEye OEToolkits | 2.0.7 | (2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCc1ccn2nc(nc2c1)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C13H11N3O/c17-9-10-6-7-16-12(8-10)14-13(15-16)11-4-2-1-3-5-11/h1-8,17H,9H2 |
| InChIKey | InChI | 1.03 | PIGSUKKNFKKDMJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccn2nc(nc2c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OCc1ccn2nc(nc2c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(ccn3n2)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(ccn3n2)CO |
