GGU
Summary
| Name: | 2-(6-amino-5-phenylpyridazin-3-yl)phenol |
| Formula: | C16 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 263.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(6-amino-5-phenylpyridazin-3-yl)phenol |
| OpenEye OEToolkits | 2.0.7 | 2-(6-azanyl-5-phenyl-pyridazin-3-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccccc1c1cc(c(N)nn1)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19) |
| InChIKey | InChI | 1.03 | SDAWPVIWTVUTCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nnc(cc1c2ccccc2)c3ccccc3O |
| SMILES | CACTVS | 3.385 | Nc1nnc(cc1c2ccccc2)c3ccccc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(nnc2N)c3ccccc3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(nnc2N)c3ccccc3O |
