chempirical

Trazodone

C19H22ClN5OCAS 19794-93-5371.87 g/mol

Open in Covalent MOL file
ONNNClNN
Aryl halideTertiary amine

Properties

Molecular formula
C19H22ClN5O
Molar mass
371.87 g/mol
Exact mass
371.1513 Da
Melting point
87 °C
logP
2.36Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
19794-93-5
SMILES
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12
InChIKey
PHLBKPHSAVXXEF-UHFFFAOYSA-N
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-
  • s-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[3-[4-(m-chlorophenyl)-1-piperazinyl]propyl]-
  • 2-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one
  • Trazodon
  • Trazalon
  • 2-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
  • 2-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
  • Beneficat
  • Trazadone

Work with Trazodone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trazodone hydrochloride25332-39-294 % similar Nefazodone83366-66-955 % similar Nefazodone hydrochloride82752-99-653 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine39577-43-047 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)52605-52-445 % similar 1-(3-Chlorophenyl)piperazine6640-24-035 % similar 2,2′-[(3-Chlorophenyl)imino]bis[ethanol]92-00-235 % similar 4-(3-Chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol dihydrochloride193611-72-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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