X8D
Summary
| Name: | 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE |
| Formula: | C11 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 199.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one |
| OpenEye OEToolkits | 1.6.1 | 5-methyl-2H-[1,2,4]triazolo[4,5-a]quinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N2c3c(C(=CC2=NN1)C)cccc3 |
| SMILES_CANONICAL | CACTVS | 3.352 | CC1=CC2=NNC(=O)N2c3ccccc13 |
| SMILES | CACTVS | 3.352 | CC1=CC2=NNC(=O)N2c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1=CC2=NNC(=O)N2c3c1cccc3 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC1=CC2=NNC(=O)N2c3c1cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C11H9N3O/c1-7-6-10-12-13-11(15)14(10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,13,15) |
| InChIKey | InChI | 1.03 | VPUMZLVLKCMKFQ-UHFFFAOYSA-N |
