47B
Summary
| Name: | 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine |
| Formula: | C11 H6 F2 N4 |
| Formal charge: | 0 |
| Formula weight: | 232.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine |
| OpenEye OEToolkits | 1.9.2 | 3-[3,4-bis(fluoranyl)phenyl]imidazo[2,1-c][1,2,4]triazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc3ccc(c1nnc2nccn2c1)cc3F |
| InChI | InChI | 1.03 | InChI=1S/C11H6F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-6H |
| InChIKey | InChI | 1.03 | XBCQPBDYPOLZBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1F)c2cn3ccnc3nn2 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1F)c2cn3ccnc3nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1c2cn3ccnc3nn2)F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1c2cn3ccnc3nn2)F)F |
