A1PRG
Summary
| Name: | (4R)-N-{2-[(1R,2R)-2-hydroxycyclohexyl]ethyl}[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide |
| Formula: | C15 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 288.345 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (4R)-N-{2-[(1R,2R)-2-hydroxycyclohexyl]ethyl}[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[2-[(1~{R},2~{R})-2-oxidanylcyclohexyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1CCCCC1CCNC(=O)c1cccc2ncnn12 |
| InChI | InChI | 1.06 | InChI=1S/C15H20N4O2/c20-13-6-2-1-4-11(13)8-9-16-15(21)12-5-3-7-14-17-10-18-19(12)14/h3,5,7,10-11,13,20H,1-2,4,6,8-9H2,(H,16,21)/t11-,13-/m1/s1 |
| InChIKey | InChI | 1.06 | JZRIFNLDYBQRSU-DGCLKSJQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCCC[C@@H]1CCNC(=O)c2cccc3ncnn23 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCC[CH]1CCNC(=O)c2cccc3ncnn23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(n2c(c1)ncn2)C(=O)NCC[C@H]3CCCC[C@H]3O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(n2c(c1)ncn2)C(=O)NCCC3CCCCC3O |
