A1DOT
Summary
| Name: | [(1M)-1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazol-4-yl]methanol |
| Formula: | C13 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 229.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(1M)-1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazol-4-yl]methanol |
| OpenEye OEToolkits | 3.1.0.0 | [1-(2,3-dihydro-1~{H}-inden-5-yl)-5-methyl-1,2,3-triazol-4-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1c(nnn1c1ccc2CCCc2c1)CO |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O/c1-9-13(8-17)14-15-16(9)12-6-5-10-3-2-4-11(10)7-12/h5-7,17H,2-4,8H2,1H3 |
| InChIKey | InChI | 1.06 | AXXUVEKXPOPNFA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(nnc1CO)c2ccc3CCCc3c2 |
| SMILES | CACTVS | 3.385 | Cc1n(nnc1CO)c2ccc3CCCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(nnn1c2ccc3c(c2)CCC3)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(nnn1c2ccc3c(c2)CCC3)CO |
