IHL
Summary
| Name: | (4R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine |
| Formula: | C16 H18 F3 N7 |
| Formal charge: | 0 |
| Formula weight: | 365.356 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1cn2nc(nc2cc1)CCc1nc(nn1C)N1CCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C16H18F3N7/c1-24-13(21-15(23-24)25-8-2-3-9-25)7-5-12-20-14-6-4-11(16(17,18)19)10-26(14)22-12/h4,6,10H,2-3,5,7-9H2,1H3 |
| InChIKey | InChI | 1.03 | GHKYTTYTAJJINL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(nc1CCc2nn3cc(ccc3n2)C(F)(F)F)N4CCCC4 |
| SMILES | CACTVS | 3.385 | Cn1nc(nc1CCc2nn3cc(ccc3n2)C(F)(F)F)N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(nc(n1)N2CCCC2)CCc3nc4ccc(cn4n3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(nc(n1)N2CCCC2)CCc3nc4ccc(cn4n3)C(F)(F)F |
