1H-1,2,4-Triazole-3-methanol, 1-methyl-


Chemical Name: 1H-1,2,4-Triazole-3-methanol, 1-methyl-
CAS Number: 135242-93-2
Product Number: AG0038XV(AGN-PC-0N30V0)
Synonyms:
MDL No:
Molecular Formula: C4H7N3O
Molecular Weight: 113.1179

Identification/Properties


Computed Properties
Molecular Weight:
113.12g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
113.059g/mol
Monoisotopic Mass:
113.059g/mol
Topological Polar Surface Area:
50.9A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
77.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound 1-Methyl-1H-1,2,4-triazol-3-yl)methanol is a versatile reagent commonly employed in chemical synthesis. Its unique structure and properties make it an essential building block in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. One of the key applications of (1-Methyl-1H-1,2,4-triazol-3-yl)methanol is as a potent nucleophilic agent in organic reactions. It can participate in a range of transformations such as nucleophilic addition, substitution, and condensation reactions. This compound serves as a valuable precursor for the synthesis of diverse heterocyclic compounds due to the presence of the triazole ring, which imparts beneficial properties to the final products.Moreover, (1-Methyl-1H-1,2,4-triazol-3-yl)methanol exhibits excellent compatibility with a variety of functional groups, enabling chemists to access structurally complex molecules efficiently. Its utility extends to metal-catalyzed reactions, where it can serve as a ligand or a stabilizing group for transition metal complexes, enhancing catalytic efficiency and selectivity in various transformations.Additionally, the presence of the hydroxyl group in this molecule allows for further derivatization, enabling the introduction of additional functionalities or modifications to fine-tune the reactivity or properties of the resulting compounds. Overall, the versatility and reactivity of (1-Methyl-1H-1,2,4-triazol-3-yl)methanol make it an invaluable tool in modern synthetic chemistry, facilitating the construction of complex molecules with precision and efficiency.