2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1)

Basic Information

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CAS Number

25332-39-2

Molecular Formula

C19H23Cl2N5O

Molecular Weight

408.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

222-227°C

Boiling Point

528.5°C at 760 mmHg

Water Solubility

Soluble at 25mg/ml in methanol. Also soluble in 0.1M HCl or DMSO. Insoluble in water /n

Solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 23.3 mg/mL

Vapor Pressure

No data available

SMILES

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C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl

InChI

InChI=1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H

InChIKey

OHHDIOKRWWOXMT-UHFFFAOYSA-N

LogP

2.783500000000001

Topological Polar Surface Area

45.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

611

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H351 Suspected of causing cancer
Carcinogenicity

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 i.v. in mice: 96 mg/kg (Silvestrini, Quadri)

Synonyms & References

English

A817789
SR-01000000190-8
Triticum
2-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)-1,2,4-triazolo(4,3-a)pyridin-3(2H)-one hydrochloride
TRAZODONE HYDROCHLORIDE [HSDB]
NSC-758393
NCGC00016035-13
Q27108459
1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-, hydrochloride (1:1)
CCG-40299
WLN: T56 ANVNNJ C3- AT6N DNTJ DR CG &GH
TRAZODONE HYDROCHLORIDE [USAN]
D00820
AC-6779
NCGC00256807-01
Bimaran
TRAZODONE HYDROCHLORIDE [ORANGE BOOK]
DTXCID6024626
Tox21_501159
HMS1568L06
Trazodone Hydrochloride 1.0 mg/ml in Methanol (as free base)
Thombran
S2582
TRAZODONE HYDROCHLORIDE (USP MONOGRAPH)
NSC292811
NCGC00094420-03
6E8ZO8LRNM
Pragmazone
2-[3-[4-(m-Chlorophenyl)-1-piperazinyl]propyl]-s-triazolo[4,3-a]pyridin-3(2H)-one monohydrochloride
1,2,4-triazolo[4,3-a]pyridin-3(2H)-one hydrochloride
2-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-

MDL Number

MFCD00079603

Customs Code

2933990090

FAQ

What is 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) (CAS: 25332-39-2)?

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1), with CAS number 25332-39-2, is a triazolopyridine derivative containing a piperazine ring and a 3-chlorophenyl group. It is a hydrochloride salt, typically appearing as a white crystalline solid, and exhibits solubility in polar solvents. The compound is known for its complex chemical structure and potential pharmacological activity.

What are the main uses of 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) (CAS: 25332-39-2)?

This compound is primarily used in pharmaceutical research as a potential therapeutic agent, particularly in the development of medications targeting neurological or psychiatric disorders. Its triazolopyridine framework suggests applications in drug design, while its hydrochloride salt form enhances solubility and stability. It may also serve as an intermediate in organic synthesis and chemical research.

Is 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) (CAS: 25332-39-2) safe?

The safety of 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) (CAS: 25332-39-2) depends on handling conditions. While it is generally considered safe in controlled environments, direct contact may require protective measures like gloves and ventilation. Precautions include avoiding ingestion and ensuring compliance with safety standards for chemical handling in laboratories and industrial settings.

How should 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) (CAS: 25332-39-2) be stored?

Store 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) (CAS: 25332-39-2) in a cool, dry place (ideally 2-8°C), away from light and moisture. Use airtight containers to maintain stability and prevent degradation. Ensure storage areas are well-ventilated to avoid exposure to airborne particles, and keep it separate from incompatible substances to ensure chemical safety.