1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate

C15H21N3O6 — CID 134314567

About 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate

1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate (PubChem CID 134314567) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate.

Molecular Properties

• Compound Name: 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate
• PubChem CID: 134314567
• Molecular Formula: C15H21N3O6
• Molecular Weight: 339.35 g/mol
• Exact Mass: 339.14
• IUPAC Name: 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate
• SMILES: CCCN1CCn2ncc(=O)c(OC(C)OC(=O)OCC)c2C1=O
• InChI: InChI=1S/C15H21N3O6/c1-4-6-17-7-8-18-12(14(17)20)13(11(19)9-16-18)23-10(3)24-15(21)22-5-2/h9-10H,4-8H2,1-3H3
• InChIKey: QJACOKMDJBVGOU-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 99.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.35
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate?

The IUPAC name of 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate (CID 134314567) is 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate.

What is the SMILES notation for 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate?

The canonical SMILES for 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate is CCCN1CCn2ncc(=O)c(OC(C)OC(=O)OCC)c2C1=O.

What is the InChIKey of 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate?

The InChIKey is QJACOKMDJBVGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-4-6-17-7-8-18-12(14(17)20)13(11(19)9-16-18)23-10(3)24-15(21)22-5-2/h9-10H,4-8H2,1-3H3.

What are the key properties of 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate?

1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate has a molecular weight of 339.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate is sourced from PubChem (CID 134314567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).