A1I74
Summary
| Name: | 5-chloranyl-~{N}-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine |
| Formula: | C8 H8 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 209.636 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-~{N}-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H8ClN5/c9-7-1-2-8(11-3-7)12-6-14-5-10-4-13-14/h1-5H,6H2,(H,11,12) |
| InChIKey | InChI | 1.06 | WRZUECBLWLADJI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(NCn2cncn2)nc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(NCn2cncn2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1Cl)NCn2cncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1Cl)NCn2cncn2 |
