| CAS Number | 1249227-50-6 |
| Catalog Number | AG01B9Q8 |
| Chemical Name | [1-(PROPAN-2-YL)-1H-1,2,3-TRIAZOL-4-YL]METHANOL |
| IUPAC Name | (1-propan-2-yltriazol-4-yl)methanol |
| InChI | InChI=1S/C6H11N3O/c1-5(2)9-3-6(4-10)7-8-9/h3,5,10H,4H2,1-2H3 |
| InChI Key | VWUSXTIUSAVEAQ-UHFFFAOYSA-N |
| MDL Number | MFCD16747760 |
| Molecular Formula | C6H11N3O |
| Molecular Weight | 141.1710 |
| SMILES | CC(N1N=NC(CO)=C1)C |
| Synonyms | 1249227-50-6,
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanol,
[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]methanol,
SCHEMBL16884145,
ZINC52221630,
AKOS011689702,
(1-Isopropyl-1H-[1,2,3]triazol-4-yl)-methanol,
|
| Complexity | 107 |
| 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 | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number