A1DOK
Summary
| Name: | 2-{[(4R)-imidazo[1,2-a]pyridin-2-yl]methyl}pyridazin-3(2H)-one |
| Formula: | C12 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 226.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-{[(4R)-imidazo[1,2-a]pyridin-2-yl]methyl}pyridazin-3(2H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 2-(imidazo[1,2-a]pyridin-2-ylmethyl)pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1C=CC=NN1Cc1nc2ccccn2c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H10N4O/c17-12-5-3-6-13-16(12)9-10-8-15-7-2-1-4-11(15)14-10/h1-8H,9H2 |
| InChIKey | InChI | 1.06 | XOSRGBLJNZYNSI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=CC=NN1Cc2cn3ccccc3n2 |
| SMILES | CACTVS | 3.385 | O=C1C=CC=NN1Cc2cn3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccn2cc(nc2c1)CN3C(=O)C=CC=N3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccn2cc(nc2c1)CN3C(=O)C=CC=N3 |
