In the title compound, C(14)H(16)ClN(5)O(3), there is evidence for significant electron delocalization in the triazolyl system. Intra-molecular C-H⋯O and inter-molecular C-H⋯O and C-H⋯N hydrogen bonds stabilize the structure.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959854PMC
http://dx.doi.org/10.1107/S1600536808037197DOI Listing

Publication Analysis

Top Keywords

ethyl 1-6-chloro-3-pyridylmeth-yl-5-ethoxy-methyl-eneamino-1h-123-triazole-4-carboxyl-ate
4
1-6-chloro-3-pyridylmeth-yl-5-ethoxy-methyl-eneamino-1h-123-triazole-4-carboxyl-ate title
4
title compound
4
compound c14h16cln5o3
4
c14h16cln5o3 evidence
4
evidence electron
4
electron delocalization
4
delocalization triazolyl
4
triazolyl system
4
system intra-molecular
4

Similar Publications

Developing active-layer systems with both high performance and mechanical robustness is a crucial step towards achieving future commercialization of flexible and stretchable organic solar cells (OSCs). Herein, we design and synthesize a series of acceptors BTA-C6, BTA-E3, BTA-E6, and BTA-E9, featuring the side chains of hexyl, and 3, 6, and 9 carbon-chain with ethyl ester end groups respectively. Benefiting from suitable phase separation and vertical phase distribution, the PM6:BTA-E3-based OSCs processed by o-xylene exhibit lower energy loss and improved charge transport characteristic and achieve a power conversion efficiency of 19.

View Article and Find Full Text PDF

Background: Contingency management (CM) is an intervention for alcohol use disorder (AUD) that reinforces abstinence, as confirmed by alcohol biomarkers. CM is usually brief (12-16 weeks) despite evidence that longer interventions have better long-term outcomes. Most CM models are in-person which can also be a barrier for treatment.

View Article and Find Full Text PDF

Ligand-based cheminformatics and free energy-inspired molecular simulations for prioritizing and optimizing G-protein coupled receptor kinase-6 (GRK6) inhibitors in multiple myeloma treatment.

Comput Biol Chem

January 2025

Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. Electronic address:

Multiple myeloma (MM) is the second most frequently diagnosed hematological malignancy, presenting limited treatment options with no curative potential and significant drug resistance. Recent studies involving genetic knockdown established the crucial role of GRK6 in upholding the viability of MM cells, emphasizing the need to identify potential inhibitors. Computational exploration of GRK6 inhibitors has not been attempted previously.

View Article and Find Full Text PDF

Inclusion of α-Linolenic acid ethyl ester in flaxseed oil with β-Cyclodextrin by hydrogen bonding.

Food Chem

January 2025

Research Center of Grain and Oil Functionalized Processing in Universities of Shaanxi Province, College of Food Science and Engineering, Northwest A&F University, 22 Xinong Road, Yangling 712100, Shaanxi, PR China. Electronic address:

β-Cyclodextrin (β-CD) enhances functional properties by forming inclusion complexes (ICs). This study employed β-CD to form IC with fatty acid ethyl ester (FAEE) for concentrating α-Linolenic acid ethyl ester (ALAEE) from flaxseed oil FAEE, and investigated the interaction mechanisms between β-CD and ALAEE. Using the single-factor method, optimal inclusion conditions yielded an inclusion rate of 61.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!