1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C67H82Cl3N15O6 — CID 160669277

About 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 160669277) has the molecular formula C67H82Cl3N15O6 and a molecular weight of 1299.85 g/mol. Its IUPAC name is 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

• Compound Name: 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
• PubChem CID: 160669277
• Molecular Formula: C67H82Cl3N15O6
• Molecular Weight: 1299.85 g/mol
• Exact Mass: 1297.56
• IUPAC Name: 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
• SMILES: CC(=O)CC(CCn1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1.CC(=O)CC1CN(c2cccc(Cl)c2)CCN1CCCn1nc2ccccn2c1=O.CCCCN1CCN(c2cccc(Cl)c2)C(CC(C)=O)C1.O=c1[nH]nc2ccccn12
• InChI: InChI=1S/2C22H26ClN5O2.C17H25ClN2O.C6H5N3O/c1-17(29)14-20-16-26(19-7-4-6-18(23)15-19)13-12-25(20)9-5-11-28-22(30)27-10-3-2-8-21(27)24-28;1-17(29)15-20(8-10-28-22(30)27-9-3-2-7-21(27)24-28)26-13-11-25(12-14-26)19-6-4-5-18(23)16-19;1-3-4-8-19-9-10-20(17(13-19)11-14(2)21)16-7-5-6-15(18)12-16;10-6-8-7-5-3-1-2-4-9(5)6/h2-4,6-8,10,15,20H,5,9,11-14,16H2,1H3;2-7,9,16,20H,8,10-15H2,1H3;5-7,12,17H,3-4,8-11,13H2,1-2H3;1-4H,(H,8,10)
• InChIKey: RMSFETBJCKLJGE-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 199.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1299.85
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The IUPAC name of 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 160669277) is 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

What is the SMILES notation for 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The canonical SMILES for 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(=O)CC(CCn1nc2ccccn2c1=O)N1CCN(c2cccc(Cl)c2)CC1.CC(=O)CC1CN(c2cccc(Cl)c2)CCN1CCCn1nc2ccccn2c1=O.CCCCN1CCN(c2cccc(Cl)c2)C(CC(C)=O)C1.O=c1[nH]nc2ccccn12.

What is the InChIKey of 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The InChIKey is RMSFETBJCKLJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26ClN5O2.C17H25ClN2O.C6H5N3O/c1-17(29)14-20-16-26(19-7-4-6-18(23)15-19)13-12-25(20)9-5-11-28-22(30)27-10-3-2-8-21(27)24-28;1-17(29)15-20(8-10-28-22(30)27-9-3-2-7-21(27)24-28)26-13-11-25(12-14-26)19-6-4-5-18(23)16-19;1-3-4-8-19-9-10-20(17(13-19)11-14(2)21)16-7-5-6-15(18)12-16;10-6-8-7-5-3-1-2-4-9(5)6/h2-4,6-8,10,15,20H,5,9,11-14,16H2,1H3;2-7,9,16,20H,8,10-15H2,1H3;5-7,12,17H,3-4,8-11,13H2,1-2H3;1-4H,(H,8,10).

What are the key properties of 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?

1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 1299.85 g/mol, XLogP of 9.05, 20 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-butyl-1-(3-chlorophenyl)piperazin-2-yl]propan-2-one;2-[3-[4-(3-chlorophenyl)-2-(2-oxopropyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxohexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 160669277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).