2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide

C16H19N5O3 — CID 75528597

About 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide

2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide (PubChem CID 75528597) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide
• PubChem CID: 75528597
• Molecular Formula: C16H19N5O3
• Molecular Weight: 329.36 g/mol
• Exact Mass: 329.15
• IUPAC Name: 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide
• SMILES: CCN1CCn2c(nn(CC(=O)Nc3ccc(C)cc3)c2=O)C1=O
• InChI: InChI=1S/C16H19N5O3/c1-3-19-8-9-20-14(15(19)23)18-21(16(20)24)10-13(22)17-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,22)
• InChIKey: XIKWALGPXFXGAV-UHFFFAOYSA-N
• XLogP: 0.47
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.36
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide (CID 75528597) is 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide is CCN1CCn2c(nn(CC(=O)Nc3ccc(C)cc3)c2=O)C1=O.

What is the InChIKey of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide?

The InChIKey is XIKWALGPXFXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-3-19-8-9-20-14(15(19)23)18-21(16(20)24)10-13(22)17-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,22).

What are the key properties of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide?

2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 75528597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).