| CAS Number | 111340-39-7 |
| Catalog Number | AG01BEMR(AGN-PC-00NBWH) |
| Chemical Name | [1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol |
| IUPAC Name | (2-propan-2-yl-1,2,4-triazol-3-yl)methanol |
| InChI | InChI=1S/C6H11N3O/c1-5(2)9-6(3-10)7-4-8-9/h4-5,10H,3H2,1-2H3 |
| InChI Key | XIAOMTCYUPNRKB-UHFFFAOYSA-N |
| MDL Number | MFCD21270537 |
| Molecular Formula | C6H11N3O |
| Molecular Weight | 141.1710 |
| SMILES | CC(N1C(CO)=NC=N1)C |
| Synonyms | 111340-39-7,
[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol,
(2-isopropyl-2H-1,2,4-triazol-3-yl)methanol,
(1-isopropyl-1H-1,2,4-triazol-5-yl)methanol,
SCHEMBL2649843,
MFCD21270537,
ZINC34109198,
AKOS014950144,
NE30834,
DA-15476,
FT-0723444,
|
| 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 | -0.1 |
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Certificate of Analysis
Lot Number