A1IST
Summary
| Name: | 4-(5-methyl-4H-1,2,4-triazol-3-yl)quinoline |
| Formula: | C12 H10 N4 |
| Formal charge: | 0 |
| Formula weight: | 210.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(5-methyl-4~{H}-1,2,4-triazol-3-yl)quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H10N4/c1-8-14-12(16-15-8)10-6-7-13-11-5-3-2-4-9(10)11/h2-7H,1H3,(H,14,15,16) |
| InChIKey | InChI | 1.06 | VBJAMIUIUPPGLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(nn1)c2ccnc3ccccc23 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(nn1)c2ccnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c(nn1)c2ccnc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c(nn1)c2ccnc3c2cccc3 |
