TQU
Summary
| Name: | 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine |
| Formula: | C11 H9 N5 |
| Formal charge: | 0 |
| Formula weight: | 211.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine |
| OpenEye OEToolkits | 1.7.6 | 4-(1,2,4-triazol-1-yl)quinolin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ccc(c2cc(N)ccc12)n3ncnc3 |
| InChI | InChI | 1.03 | InChI=1S/C11H9N5/c12-8-1-2-10-9(5-8)11(3-4-14-10)16-7-13-6-15-16/h1-7H,12H2 |
| InChIKey | InChI | 1.03 | GXRXDACPFFYIDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc2nccc(n3cncn3)c2c1 |
| SMILES | CACTVS | 3.370 | Nc1ccc2nccc(n3cncn3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)c(ccn2)n3cncn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1N)c(ccn2)n3cncn3 |
