QMW
Summary
| Name: | 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol |
| Synonyms: | DP28 |
| Formula: | C15 H18 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 286.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H18N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9-10,20-21H,5-8H2,(H2,16,18) |
| InChIKey | InChI | 1.03 | IYHIMSKJSRZGKN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nnc(cc1N2CCC(O)CC2)c3ccccc3O |
| SMILES | CACTVS | 3.385 | Nc1nnc(cc1N2CCC(O)CC2)c3ccccc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O |
