2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

C19H21Cl2N5O2 — CID 120739303

About 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride

2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (PubChem CID 120739303) has the molecular formula C19H21Cl2N5O2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
• PubChem CID: 120739303
• Molecular Formula: C19H21Cl2N5O2
• Molecular Weight: 422.32 g/mol
• Exact Mass: 421.11
• IUPAC Name: 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
• SMILES: Cl.O=C(CCn1nc2ccccn2c1=O)N1CCNCC1c1ccccc1Cl
• InChI: InChI=1S/C19H20ClN5O2.ClH/c20-15-6-2-1-5-14(15)16-13-21-9-12-23(16)18(26)8-11-25-19(27)24-10-4-3-7-17(24)22-25;/h1-7,10,16,21H,8-9,11-13H2;1H
• InChIKey: AEACNQSTVHDRHT-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 71.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.32
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?

The IUPAC name of 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride (CID 120739303) is 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride.

What is the SMILES notation for 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?

The canonical SMILES for 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is Cl.O=C(CCn1nc2ccccn2c1=O)N1CCNCC1c1ccccc1Cl.

What is the InChIKey of 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?

The InChIKey is AEACNQSTVHDRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2.ClH/c20-15-6-2-1-5-14(15)16-13-21-9-12-23(16)18(26)8-11-25-19(27)24-10-4-3-7-17(24)22-25;/h1-7,10,16,21H,8-9,11-13H2;1H.

What are the key properties of 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride?

2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride has a molecular weight of 422.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 120739303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).