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

C19H20ClN5O2 — CID 10667836

IUPAC2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C1CN(CCCn2nc3ccccn3c2=O)CCN1c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN5O2/c20-15-5-3-6-16(13-15)23-12-11-22(14-18(23)26)8-4-10-25-19(27)24-9-2-1-7-17(24)21-25/h1-3,5-7,9,13H,4,8,10-12,14H2
InChIKeyDEUUNVFIFGPUSM-UHFFFAOYSA-N
MW385.86 g/mol
LogP1.89
Rot. Bonds5

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

2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 10667836) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID10667836
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C1CN(CCCn2nc3ccccn3c2=O)CCN1c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN5O2/c20-15-5-3-6-16(13-15)23-12-11-22(14-18(23)26)8-4-10-25-19(27)24-9-2-1-7-17(24)21-25/h1-3,5-7,9,13H,4,8,10-12,14H2
InChIKeyDEUUNVFIFGPUSM-UHFFFAOYSA-N
XLogP1.89
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 10667836) is 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C1CN(CCCn2nc3ccccn3c2=O)CCN1c1cccc(Cl)c1.
What is the InChIKey of 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DEUUNVFIFGPUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-15-5-3-6-16(13-15)23-12-11-22(14-18(23)26)8-4-10-25-19(27)24-9-2-1-7-17(24)21-25/h1-3,5-7,9,13H,4,8,10-12,14H2.
What are the key properties of 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 385.86 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 10667836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).