Next Article in Journal
Synthesis of New Chiral Amines with a Cyclic 1,2-Diacetal Skeleton Derived from (2R, 3R)-(+)-Tartaric Acid
Previous Article in Journal
Synthesis and Structural Characterization of the Sodium Salt of a New Sulfonate-containing Water Soluble N-Donor Ligand⎯ Self-assembly in the Solid State by π−π Stacking Interactions
Article Menu

Export Article

Open AccessArticle
Molecules 2006, 11(2), 169-176; https://doi.org/10.3390/11020169

Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one

1
Faculty of Medicinal and Applied Chemistry, Kaohsiung Medical University, Kaohsiung City 80708, Taiwan
2
Department of Psychiatry, Longcyuan Veterans Hospital, Pingtung 912, Taiwan
3
Department of Pharmacy, Kaohsiung Veterans General Hospital, Kaohsiung City 807, Taiwan
4
nstrumentation Center, College of Science, National Taiwan University, Taipei City 106, Taiwan
*
Author to whom correspondence should be addressed.
Received: 5 November 2005 / Revised: 10 March 2006 / Accepted: 10 March 2006 / Published: 17 March 2006
Full-Text   |   PDF [253 KB, uploaded 18 June 2014]   |  

Abstract

The title compound 6-amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7H)-one (4), molecular formula C11H10N6OS, was obtained by the reaction of3-amino-2-benzyl-6-hydrazino-1,2,4-triazin-5(2H)-one (3) with carbon disulfide in awater/pyridine mixture. Compound 4 can also be synthesized by reacting6-amino-3(2H)mercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one (7) with benzylbromide in methanolic ammonia water. The compound crystallizes in the monoclinicspace group P21/c with a = 7.2926(15), b = 14.456(2), c = 11.436(2) å, β = 105.30(2)°, V= 1162.9(4) å3 and Z = 4, resulting in a density Dcalc of 1.567 g/cm3. Molecules of 4 arelinked by extensive intermolecular N-H···N and N-H···O hydrogen bonding [graph set R22 (9)]. The structure is further stabilized by π-π stacking interactions. 2 View Full-Text
Keywords: 1; 2; 4-Triazine; 1; 2; 4-triazolo[3; 4-f][1; 2; 4]triazine; X-ray crystal structure; hydrogen bonds. 1; 2; 4-Triazine; 1; 2; 4-triazolo[3; 4-f][1; 2; 4]triazine; X-ray crystal structure; hydrogen bonds.
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
SciFeed

Share & Cite This Article

MDPI and ACS Style

Hwang, L.-C.; Tu, C.-H.; Wang, J.-H.; Lee, G.-H. Synthesis and Molecular Structure of 6-Amino-3-benzylmercapto-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one. Molecules 2006, 11, 169-176.

Show more citation formats Show less citations formats

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top