ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

C16H24N6O2 — CID 46096747

About ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate (PubChem CID 46096747) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
• PubChem CID: 46096747
• Molecular Formula: C16H24N6O2
• Molecular Weight: 332.41 g/mol
• Exact Mass: 332.20
• IUPAC Name: ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
• SMILES: CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(CC)CC1
• InChI: InChI=1S/C16H24N6O2/c1-4-20-6-8-21(9-7-20)15-13(10-14(23)24-5-2)12(3)19-16-17-11-18-22(15)16/h11H,4-10H2,1-3H3
• InChIKey: KYDKWJPHNFLAIY-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 75.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.41
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate?

The IUPAC name of ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate (CID 46096747) is ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.

What is the SMILES notation for ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate?

The canonical SMILES for ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate is CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(CC)CC1.

What is the InChIKey of ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate?

The InChIKey is KYDKWJPHNFLAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-20-6-8-21(9-7-20)15-13(10-14(23)24-5-2)12(3)19-16-17-11-18-22(15)16/h11H,4-10H2,1-3H3.

What are the key properties of ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate?

ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate has a molecular weight of 332.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate is sourced from PubChem (CID 46096747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).