ZQJ
Summary
| Name: | 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one |
| Formula: | C8 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 165.192 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C2CNCCC2=NN1C |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h4,9H,2-3,5H2,1H3 |
| InChIKey | InChI | 1.03 | VQKHNWPVBIRRNP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=C2CCNCC2=CC1=O |
| SMILES | CACTVS | 3.385 | CN1N=C2CCNCC2=CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C=C2CNCCC2=N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C=C2CNCCC2=N1 |
