A1A39
Summary
| Name: | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine |
| Formula: | C10 H16 N4 |
| Formal charge: | 0 |
| Formula weight: | 192.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-~{N}-methyl-1-pyridazin-3-yl-piperidin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CNC1CCCN(C1)c1nnccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | QLSDWIHANVSIEK-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@H]1CCCN(C1)c2cccnn2 |
| SMILES | CACTVS | 3.385 | CN[CH]1CCCN(C1)c2cccnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN[C@H]1CCCN(C1)c2cccnn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNC1CCCN(C1)c2cccnn2 |
