1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

C19H21ClN6O — CID 120739824

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (PubChem CID 120739824) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
• PubChem CID: 120739824
• Molecular Formula: C19H21ClN6O
• Molecular Weight: 384.87 g/mol
• Exact Mass: 384.15
• IUPAC Name: 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
• SMILES: Cc1cc(C)n2nc(CC(=O)N3CCNCC3c3ccccc3Cl)nc2n1
• InChI: InChI=1S/C19H21ClN6O/c1-12-9-13(2)26-19(22-12)23-17(24-26)10-18(27)25-8-7-21-11-16(25)14-5-3-4-6-15(14)20/h3-6,9,16,21H,7-8,10-11H2,1-2H3
• InChIKey: IGZROJURPBZTMG-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.87
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?

The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (CID 120739824) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.

What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?

The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is Cc1cc(C)n2nc(CC(=O)N3CCNCC3c3ccccc3Cl)nc2n1.

What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?

The InChIKey is IGZROJURPBZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-12-9-13(2)26-19(22-12)23-17(24-26)10-18(27)25-8-7-21-11-16(25)14-5-3-4-6-15(14)20/h3-6,9,16,21H,7-8,10-11H2,1-2H3.

What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone has a molecular weight of 384.87 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is sourced from PubChem (CID 120739824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).