1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H24ClN5O — CID 70136375

IUPAC1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C1NN(CCCN2CCN(c3cccc(Cl)c3)CC2)C2=CC=CCN12
InChIInChI=1S/C19H24ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-18-7-1-2-9-24(18)19(26)21-25/h1-3,5-7,15H,4,8-14H2,(H,21,26)
InChIKeyFCPAFKJMRYZOBT-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.51
Rot. Bonds5

About 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 70136375) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID70136375
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C1NN(CCCN2CCN(c3cccc(Cl)c3)CC2)C2=CC=CCN12
InChIInChI=1S/C19H24ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-18-7-1-2-9-24(18)19(26)21-25/h1-3,5-7,15H,4,8-14H2,(H,21,26)
InChIKeyFCPAFKJMRYZOBT-UHFFFAOYSA-N
XLogP2.51
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
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5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
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6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 70136375) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C1NN(CCCN2CCN(c3cccc(Cl)c3)CC2)C2=CC=CCN12.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FCPAFKJMRYZOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-18-7-1-2-9-24(18)19(26)21-25/h1-3,5-7,15H,4,8-14H2,(H,21,26).
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 373.89 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 70136375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).