NNL
Summary
| Name: | N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine |
| Formula: | C14 H14 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 287.747 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine |
| OpenEye OEToolkits | 1.7.6 | N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)CCNc2c3nncn3nc(c2)C |
| InChI | InChI | 1.03 | InChI=1S/C14H14ClN5/c1-10-8-13(14-18-17-9-20(14)19-10)16-7-6-11-2-4-12(15)5-3-11/h2-5,8-9,16H,6-7H2,1H3 |
| InChIKey | InChI | 1.03 | ANMSXJNKBNFCTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(NCCc2ccc(Cl)cc2)c3nncn3n1 |
| SMILES | CACTVS | 3.370 | Cc1cc(NCCc2ccc(Cl)cc2)c3nncn3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl |
