| CAS Number | 1599567-63-1 |
| Catalog Number | AG01B685 |
| Chemical Name | 2-(1-methyl-1H-1,2,3-triazol-4-yl)propan-2-ol |
| IUPAC Name | 2-(1-methyltriazol-4-yl)propan-2-ol |
| InChI | InChI=1S/C6H11N3O/c1-6(2,10)5-4-9(3)8-7-5/h4,10H,1-3H3 |
| InChI Key | IZYJJPFDVHGKAG-UHFFFAOYSA-N |
| MDL Number | MFCD28148800 |
| Molecular Formula | C6H11N3O |
| Molecular Weight | 141.1710 |
| SMILES | CN1N=NC(C(O)(C)C)=C1 |
| Synonyms | 2-(1-methyl-1H-1,2,3-triazol-4-yl)propan-2-ol,
1599567-63-1,
SCHEMBL12418758,
ZINC79026929,
AKOS026733120,
Z2568757981,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.174g/mol |
| Monoisotopic Mass | 141.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number