IFE
Summary
| Name: | (4R)-6-chloro-2-{(E)-2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyridine |
| Formula: | C15 H16 Cl N7 |
| Formal charge: | 0 |
| Formula weight: | 329.787 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-6-chloro-2-{(E)-2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethenyl}[1,2,4]triazolo[1,5-a]pyridine |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-2-[(~{E})-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1nc(nc1/C=C/c1nc2ccc(Cl)cn2n1)N1CCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C15H16ClN7/c1-21-13(18-15(20-21)22-8-2-3-9-22)7-5-12-17-14-6-4-11(16)10-23(14)19-12/h4-7,10H,2-3,8-9H2,1H3 |
| InChIKey | InChI | 1.03 | PUNKGEQWLHDUQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(nc1\C=C\c2nn3cc(Cl)ccc3n2)N4CCCC4 |
| SMILES | CACTVS | 3.385 | Cn1nc(nc1C=Cc2nn3cc(Cl)ccc3n2)N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(nc(n1)N2CCCC2)/C=C/c3nc4ccc(cn4n3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(nc(n1)N2CCCC2)C=Cc3nc4ccc(cn4n3)Cl |
