2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H19BrN6O — CID 176929820

About 2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 176929820) has the molecular formula C13H19BrN6O and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 176929820
• Molecular Formula: C13H19BrN6O
• Molecular Weight: 355.24 g/mol
• Exact Mass: 354.08
• IUPAC Name: 2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• SMILES: CCc1nc2nc(Br)[nH]n2c(=O)c1N1CCNCC1CC
• InChI: InChI=1S/C13H19BrN6O/c1-3-8-7-15-5-6-19(8)10-9(4-2)16-13-17-12(14)18-20(13)11(10)21/h8,15H,3-7H2,1-2H3,(H,16,17,18)
• InChIKey: YGUVVXPCYQGOFL-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 78.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.24
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 176929820) is 2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

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

The canonical SMILES for 2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1nc2nc(Br)[nH]n2c(=O)c1N1CCNCC1CC.

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

The InChIKey is YGUVVXPCYQGOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN6O/c1-3-8-7-15-5-6-19(8)10-9(4-2)16-13-17-12(14)18-20(13)11(10)21/h8,15H,3-7H2,1-2H3,(H,16,17,18).

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

2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 355.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-ethyl-6-(2-ethylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 176929820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).