| CAS Number | 1247216-82-5 |
| Catalog Number | AG01A1NE |
| Chemical Name | 1-(3-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol |
| IUPAC Name | 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol |
| InChI | InChI=1S/C5H9N3O/c1-3(9)5-6-4(2)7-8-5/h3,9H,1-2H3,(H,6,7,8) |
| InChI Key | WJWAGYYQNNIODS-UHFFFAOYSA-N |
| MDL Number | MFCD16090891 |
| Molecular Formula | C5H9N3O |
| Molecular Weight | 127.1445 |
| SMILES | CC(C1NN=C(C)N=1)O |
| Synonyms | 1-(3-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol,
1247216-82-5,
1-(5-Methyl-2H-[1,2,4]triazol-3-yl)-ethanol,
SCHEMBL18214759,
AKOS011020370,
SC-49344,
Z2418193704,
|
| Complexity | 98.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.147g/mol |
| Monoisotopic Mass | 127.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number