(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C18H26N4O7 — CID 134314533

About (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 134314533) has the molecular formula C18H26N4O7 and a molecular weight of 410.43 g/mol. Its IUPAC name is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

• Compound Name: (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• PubChem CID: 134314533
• Molecular Formula: C18H26N4O7
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.18
• IUPAC Name: (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• SMILES: CCCN1CCn2ncc(=O)c(OCOC(=O)CNC(=O)OC(C)(C)C)c2C1=O
• InChI: InChI=1S/C18H26N4O7/c1-5-6-21-7-8-22-14(16(21)25)15(12(23)9-20-22)28-11-27-13(24)10-19-17(26)29-18(2,3)4/h9H,5-8,10-11H2,1-4H3,(H,19,26)
• InChIKey: UJICQHSGKVHLRT-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 129.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 134314533) is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

What is the SMILES notation for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The canonical SMILES for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CCCN1CCn2ncc(=O)c(OCOC(=O)CNC(=O)OC(C)(C)C)c2C1=O.

What is the InChIKey of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The InChIKey is UJICQHSGKVHLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O7/c1-5-6-21-7-8-22-14(16(21)25)15(12(23)9-20-22)28-11-27-13(24)10-19-17(26)29-18(2,3)4/h9H,5-8,10-11H2,1-4H3,(H,19,26).

What are the key properties of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 410.43 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 134314533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).