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1,2,4-Triazolo[4,3-c]quinazoline-3(2H)-thione, 5-phenyl- is a complex organic compound with the molecular formula C14H9N5S. It is a derivative of triazoloquinazoline, a heterocyclic compound with a triazole and quinazoline fused together. The 5-phenyl substitution refers to a phenyl group (C6H5) attached to the 5th position of the triazoloquinazoline core. 1,2,4-Triazolo[4,3-c]quinazoline-3(2H)-thione, 5-phenyl- is of interest in medicinal chemistry and drug design due to its potential biological activities and diverse chemical properties. It is characterized by its unique structure, which includes a sulfur atom in the thiol group, contributing to its reactivity and potential applications in various chemical and pharmaceutical processes.

3455-46-7

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3455-46-7 Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 15 carbon (C) atoms, 11 hydrogen (H) atoms, 5 nitrogen (N) atoms, and 1 sulfur (S) atom.
2. Heterocyclic compound

Explanation

A heterocyclic compound is a cyclic compound that contains atoms of at least two different elements, in this case, carbon, nitrogen, sulfur, and hydrogen.
3. Triazoloquinazoline ring system

Explanation

The compound features a fused ring system consisting of a triazole (a five-membered ring with three nitrogen atoms) and a quinazoline (a fused six-membered and five-membered ring system with one nitrogen atom).
4. Thione group

Explanation

The thione group is a functional group containing a sulfur atom double-bonded to a carbon atom and single-bonded to a hydrogen atom (C=S-H).
5. Phenyl substituent

Explanation

A phenyl group (C6H5) is a hydrocarbon group consisting of a six-membered ring with alternating single and double carbon-carbon bonds.
6. Potential biological activities

Explanation

The compound has shown promising results in various biological assays, indicating that it may have potential applications in the field of biology and medicine.
7. Pharmacological properties

Explanation

The compound has been studied for its pharmacological properties, which are the interactions between the compound and living organisms, including their effects on biological systems.
8. Drug development and medicinal chemistry research

Explanation

Due to its potential biological activities and pharmacological properties, 1,2,4-Triazolo[4,3-c]quinazoline-3(2H)-thione, 5-phenylcould be useful in the development of new drugs and in medicinal chemistry research, which focuses on designing and synthesizing new chemical compounds for therapeutic purposes.

Check Digit Verification of cas no

The CAS Registry Mumber 3455-46-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,4,5 and 5 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 3455-46:
(6*3)+(5*4)+(4*5)+(3*5)+(2*4)+(1*6)=87
87 % 10 = 7
So 3455-46-7 is a valid CAS Registry Number.

3455-46-7Relevant academic research and scientific papers

Synthesis, biological evaluation and QSAR studies of a novel series of annelated triazolo[4,3-c]quinazolines

Reddy, Cherkupally Sanjeeva,Sunitha, Bommineni,Raviteja, Padma,Kumar, Gaddam Rajesh,Manjari, Padma Sunitha

, p. 898 - 911 (2017/01/18)

A series of novel annelated triazolo[4,3-c]quinazolines 6a-m have been synthesized and characterized by physicochemical as well as spectral means. The bioactivity assay for the newly synthesized compounds against Gram-positive and Gram-negative bacteria, and fungi indicates that most new compounds exhibit good antibacterial and antifungal activities in comparison with standard drugs. 2-[(4-Methoxyanilino)methyl]-5-phenyl-2,3-dihydro[1,2,4] triazolo[4,3-c]quinazoline-3-thione 6f, and 2-[(4-aminoanilino)methyl]-5-phenyl-2,3-dihydro[1,2,4]triazolo[4,3-c] quinazoline-3-thione 6m have emerged as the most potent antimicrobial agents with activity (pMICam = 2.26 and 2.38 μM/mL respectively) almost equal to the reference drugs streptomycin, penicillin and amphotericin B. The results of QSAR studies demonstrate that antibacterial, antifungal and over all antimicrobial activities of synthesized quinazoline derivatives are governed by electronic parameter, hydrophobicity (log P) and chemical potential (μ). The validity of Hammett's linear free energy relationship for the first time has been verified, from the linear plot of log activity against substituent constant (σ). The observed low residual activity and high cross validated q2 values indicate the predictive ability of the developed models, which further simplify the design and synthesis of new biologically potent molecules.

Quinazoline Derivatives from 2-Phenyl-4-quinazolinylhydrazine

El-Sherief, Hassan Ahmed,Mahmoud, Abdalla Mohamed,Esmaiel, Ahmed Ahmed

, p. 1138 - 1142 (2007/10/02)

Formic acid and acetyl and benzoyl chloride were treated with 2-phenyl-4-quinazolinylhydrazine (1) under mild conditions to afford the corresponding hydrazides which were converted into 5-phenyltriazoloquinazoline, 2-methyl-5-phenyltr

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