zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)

C55H84BrN9O6Zn — CID 163419669

About zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)

zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane) (PubChem CID 163419669) has the molecular formula C55H84BrN9O6Zn and a molecular weight of 1112.63 g/mol. Its IUPAC name is zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane).

Molecular Properties

• Compound Name: zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)
• PubChem CID: 163419669
• Molecular Formula: C55H84BrN9O6Zn
• Molecular Weight: 1112.63 g/mol
• Exact Mass: 1109.50
• IUPAC Name: zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)
• SMILES: CCOC(=O)c1cnn2c(Br)c(C)nc2c1C(C)C.CCOC(=O)c1cnn2c(C(C)(C)C)c(C)nc2c1C(C)C.CCOC(=O)c1cnn2c(CC(C)C)c(C)nc2c1C(C)C.C[C-](C)C.C[C-](C)C.[Zn+2]
• InChI: InChI=1S/2C17H25N3O2.C13H16BrN3O2.2C4H9.Zn/c1-8-22-16(21)12-9-18-20-14(17(5,6)7)11(4)19-15(20)13(12)10(2)3;1-7-22-17(21)13-9-18-20-14(8-10(2)3)12(6)19-16(20)15(13)11(4)5;1-5-19-13(18)9-6-15-17-11(14)8(4)16-12(17)10(9)7(2)3;2*1-4(2)3;/h9-10H,8H2,1-7H3;9-11H,7-8H2,1-6H3;6-7H,5H2,1-4H3;2*1-3H3;/q;;;2*-1;+2
• InChIKey: AHJJPVDKXACPDG-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 169.47 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1112.63
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)?

The IUPAC name of zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane) (CID 163419669) is zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane).

What is the SMILES notation for zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)?

The canonical SMILES for zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane) is CCOC(=O)c1cnn2c(Br)c(C)nc2c1C(C)C.CCOC(=O)c1cnn2c(C(C)(C)C)c(C)nc2c1C(C)C.CCOC(=O)c1cnn2c(CC(C)C)c(C)nc2c1C(C)C.C[C-](C)C.C[C-](C)C.[Zn+2].

What is the InChIKey of zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)?

The InChIKey is AHJJPVDKXACPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H25N3O2.C13H16BrN3O2.2C4H9.Zn/c1-8-22-16(21)12-9-18-20-14(17(5,6)7)11(4)19-15(20)13(12)10(2)3;1-7-22-17(21)13-9-18-20-14(8-10(2)3)12(6)19-16(20)15(13)11(4)5;1-5-19-13(18)9-6-15-17-11(14)8(4)16-12(17)10(9)7(2)3;2*1-4(2)3;/h9-10H,8H2,1-7H3;9-11H,7-8H2,1-6H3;6-7H,5H2,1-4H3;2*1-3H3;/q;;;2*-1;+2.

What are the key properties of zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)?

zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane) has a molecular weight of 1112.63 g/mol, XLogP of 13.51, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane) is sourced from PubChem (CID 163419669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).