IKO
Summary
| Name: | N-cyclopropyl-5-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl}-N,1-dimethyl-1H-1,2,4-triazol-3-amine |
| Formula: | C16 H22 N8 |
| Formal charge: | 0 |
| Formula weight: | 326.399 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-cyclopropyl-5-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl}-N,1-dimethyl-1H-1,2,4-triazol-3-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-~{N},1-dimethyl-1,2,4-triazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(c1nc(CCc2nc3c(C)ncc(C)n3n2)n(C)n1)C1CC1 |
| InChI | InChI | 1.03 | InChI=1S/C16H22N8/c1-10-9-17-11(2)15-18-13(20-24(10)15)7-8-14-19-16(21-23(14)4)22(3)12-5-6-12/h9,12H,5-8H2,1-4H3 |
| InChIKey | InChI | 1.03 | HJUCVPLGWMJKKL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(nc1CCc2nn3c(C)cnc(C)c3n2)N(C)C4CC4 |
| SMILES | CACTVS | 3.385 | Cn1nc(nc1CCc2nn3c(C)cnc(C)c3n2)N(C)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N(C)C4CC4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N(C)C4CC4)C |
