FX5
Summary
| Name: | 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol |
| Formula: | C14 H18 N5 O |
| Formal charge: | 1 |
| Formula weight: | 272.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)/p+1 |
| InChIKey | InChI | 1.03 | SZKHGLTYXIDOFH-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O |
| SMILES | CACTVS | 3.385 | Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O |
