W41
Summary
| Name: | 6-chlorotetrazolo[1,5-b]pyridazine |
| Formula: | C4 H2 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 155.545 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chlorotetrazolo[1,5-b]pyridazine |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-[1,2,3,4]tetrazolo[1,5-b]pyridazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2nc1n(nc(Cl)cc1)n2 |
| InChI | InChI | 1.03 | InChI=1S/C4H2ClN5/c5-3-1-2-4-6-8-9-10(4)7-3/h1-2H |
| InChIKey | InChI | 1.03 | RRBQGBYFXZPPAH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2nnnn2n1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2nnnn2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(nn2c1nnn2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(nn2c1nnn2)Cl |
