Chemical Properties of Trazodone (CAS 19794-93-5)

InChI

InChI=1S/C19H22ClN5O/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

InChI Key

PHLBKPHSAVXXEF-UHFFFAOYSA-N

Formula

C19H22ClN5O

SMILES

O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12

Molecular Weight¹

371.86

CAS

19794-93-5

Other Names

• 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-
• 25332-39-2 (hydrochloride)
• Desyrel
• Trazodon
• s-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(m-chlorophenyl)-1-piperazinyl)propyl)-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.47		Aq. Sol...
logPoct/wat	2.362		Crippen Calculated Property
McVol	273.040	ml/mol	McGowan Calculated Property
Inp	[3300.00; 3345.00]
Inp	3300.00		NIST
Inp	3345.00		NIST
Inp	3345.00		NIST
Inp	3345.00		NIST
Inp	3300.00		NIST

Similar Compounds

Find more compounds similar to Trazodone.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.