0VH
Summary
| Name: | 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide |
| Formula: | C18 H25 N7 O |
| Formal charge: | 0 |
| Formula weight: | 355.437 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 6-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2nnc(cc2Nc1nc(ccc1)CC)NC3CCCCC3N)N |
| InChI | InChI | 1.03 | InChI=1S/C18H25N7O/c1-2-11-6-5-9-15(21-11)23-14-10-16(24-25-17(14)18(20)26)22-13-8-4-3-7-12(13)19/h5-6,9-10,12-13H,2-4,7-8,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | WDVJRXQKCPLXTN-QWHCGFSZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |
| SMILES | CACTVS | 3.370 | CCc1cccc(Nc2cc(N[CH]3CCCC[CH]3N)nnc2C(N)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1cccc(n1)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1cccc(n1)Nc2cc(nnc2C(=O)N)NC3CCCCC3N |
