2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine


Chemical Name: 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CAS Number: 923131-85-5
Product Number: AG00GUV6(AGN-PC-00UXKW)
Synonyms:
MDL No:
Molecular Formula: C7H12N4
Molecular Weight: 152.19698

Identification/Properties


Computed Properties
Molecular Weight:
152.201g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
152.106g/mol
Monoisotopic Mass:
152.106g/mol
Topological Polar Surface Area:
56.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound 2-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is a versatile building block often used in chemical synthesis for the creation of novel heterocyclic compounds. Its unique structure containing both a pyrrolo-triazole ring system and an amine functional group makes it valuable in the development of pharmaceuticals, agrochemicals, and materials science.In chemical synthesis, 2-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine serves as a key intermediate for the construction of more complex molecules through various reactions such as cross-coupling, nucleophilic substitution, and cyclization processes. Its ability to participate in diverse transformations allows researchers to access a wide range of compounds with potential biological or material applications.Moreover, the presence of the triazole ring in this compound imparts unique properties such as increased bioavailability, improved metabolic stability, and potential for targeting specific biological pathways. This makes 2-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine an attractive scaffold for the design and synthesis of new chemical entities with desired pharmacological or material properties.