3V7
Summary
| Name: | 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol |
| Formula: | C6 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 157.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol |
| OpenEye OEToolkits | 1.9.2 | 3-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCCn1nnc(c1)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H11N3O2/c10-3-1-2-9-4-6(5-11)7-8-9/h4,10-11H,1-3,5H2 |
| InChIKey | InChI | 1.03 | XROZELKTFLMHSA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCn1cc(CO)nn1 |
| SMILES | CACTVS | 3.385 | OCCCn1cc(CO)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(nnn1CCCO)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c(nnn1CCCO)CO |
