R8J
Summary
| Name: | 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid |
| Formula: | C11 H8 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 272.22 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 6-[3-oxidanylidene-4-(1,2,3-triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H8N6O3/c18-10-8(16-4-3-13-15-16)6-14-17(10)9-2-1-7(5-12-9)11(19)20/h1-6,14H,(H,19,20) |
| InChIKey | InChI | 1.03 | MRJSXXCYZJCFSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(nc1)N2NC=C(n3ccnn3)C2=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(nc1)N2NC=C(n3ccnn3)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1C(=O)O)N2C(=O)C(=CN2)n3ccnn3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1C(=O)O)N2C(=O)C(=CN2)n3ccnn3 |
