4H9
Summary
| Name: | (5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone |
| Formula: | C10 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.212 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone |
| OpenEye OEToolkits | 1.9.2 | (5-azanyl-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(C(n1ncnc1N)=O)ccc2OC |
| InChI | InChI | 1.03 | InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-10(11)12-6-13-14/h2-6H,1H3,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | MDFWUVGMSOBSKJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C(=O)n2ncnc2N |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C(=O)n2ncnc2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)C(=O)n2c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)C(=O)n2c(ncn2)N |
