IGI
Summary
| Name: | (4S)-2-[2-(4-cyclopentyl-1-methyl-1H-imidazol-2-yl)ethyl]-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine |
| Formula: | C18 H24 N6 |
| Formal charge: | 0 |
| Formula weight: | 324.423 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-2-[2-(4-cyclopentyl-1-methyl-1H-imidazol-2-yl)ethyl]-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(4-cyclopentyl-1-methyl-imidazol-2-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1cc(nc1CCc1nc2c(C)ncc(C)n2n1)C1CCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C18H24N6/c1-12-10-19-13(2)18-21-16(22-24(12)18)8-9-17-20-15(11-23(17)3)14-6-4-5-7-14/h10-11,14H,4-9H2,1-3H3 |
| InChIKey | InChI | 1.03 | IHMORQYQBFBCKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1CCc2nn3c(C)cnc(C)c3n2)C4CCCC4 |
| SMILES | CACTVS | 3.385 | Cn1cc(nc1CCc2nn3c(C)cnc(C)c3n2)C4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c2n1nc(n2)CCc3nc(cn3C)C4CCCC4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c2n1nc(n2)CCc3nc(cn3C)C4CCCC4)C |
