28C
Summary
| Name: | 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol |
| Formula: | C14 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 269.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol |
| OpenEye OEToolkits | 1.7.6 | 4-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nc2c(cc(nn2c1)C)NCCc3ccc(O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H15N5O/c1-10-8-13(14-17-16-9-19(14)18-10)15-7-6-11-2-4-12(20)5-3-11/h2-5,8-9,15,20H,6-7H2,1H3 |
| InChIKey | InChI | 1.03 | IRYZTIMDNVDWKI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(NCCc2ccc(O)cc2)c3nncn3n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(NCCc2ccc(O)cc2)c3nncn3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O |
