JHO
Summary
| Name: | (2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol |
| Formula: | C18 H20 N6 O |
| Formal charge: | 0 |
| Formula weight: | 336.391 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1~{H}-indol-3-yl)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20N6O/c1-2-17-21-22-18-8-7-16(23-24(17)18)20-13(11-25)9-12-10-19-15-6-4-3-5-14(12)15/h3-8,10,13,19,25H,2,9,11H2,1H3,(H,20,23)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | CKLIDLDTHWLCIM-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nnc2ccc(N[C@H](CO)Cc3c[nH]c4ccccc34)nn12 |
| SMILES | CACTVS | 3.385 | CCc1nnc2ccc(N[CH](CO)Cc3c[nH]c4ccccc34)nn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1nnc2n1nc(cc2)N[C@@H](Cc3c[nH]c4c3cccc4)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1nnc2n1nc(cc2)NC(Cc3c[nH]c4c3cccc4)CO |
