9MJ
Summary
| Name: | 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide |
| Formula: | C7 H7 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 193.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 5-azanyl-3-(furan-2-yl)-1,2,4-triazole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(n1nc(nc1N)c2occc2)N |
| InChI | InChI | 1.03 | InChI=1S/C7H7N5O2/c8-6-10-5(4-2-1-3-14-4)11-12(6)7(9)13/h1-3H,(H2,9,13)(H2,8,10,11) |
| InChIKey | InChI | 1.03 | NBDYCQJTOKDLCM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)n1nc(nc1N)c2occc2 |
| SMILES | CACTVS | 3.385 | NC(=O)n1nc(nc1N)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)c2nc(n(n2)C(=O)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)c2nc(n(n2)C(=O)N)N |
