lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate

C116H138Br2Cl8LiN27O33 — CID 165027172

About lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate

lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate (PubChem CID 165027172) has the molecular formula C116H138Br2Cl8LiN27O33 and a molecular weight of 2888.91 g/mol. Its IUPAC name is lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate
• PubChem CID: 165027172
• Molecular Formula: C116H138Br2Cl8LiN27O33
• Molecular Weight: 2888.91 g/mol
• Exact Mass: 2881.60
• IUPAC Name: lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate
• SMILES: CCCCO.CCCCOc1ccc(OC)c([N+](=O)[O-])c1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc2c(Br)cc(Cl)nn12.CCOC(=O)c1cnc2c(Cl)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CNCc1ccc(OC)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)O)cnc23)cc1.COc1ccc(O)cc1[N+](=O)[O-].COc1ccc(OCCCN)cc1[N+](=O)[O-].COc1ccc(OCCCN)cc1[N+](=O)[O-].Nc1ccc(Cl)nn1.Nc1nnc(Cl)cc1Br.O.[Li+].[OH-]
• InChI: InChI=1S/C18H19ClN4O3.C16H15ClN4O3.C11H15NO4.2C10H14N2O4.C9H7BrClN3O2.C9H7Cl2N3O2.C9H13NO.C7H7NO4.C5H7ClO3.C4H3BrClN3.C4H4ClN3.C4H10O.Li.2H2O/c1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-20(9-10-3-5-11(24-2)6-4-10)12-7-14(17)19-21-13(16(22)23)8-18-15(12)21;1-3-4-7-16-9-5-6-11(15-2)10(8-9)12(13)14;2*1-15-10-4-3-8(16-6-2-5-11)7-9(10)12(13)14;2*1-2-16-9(15)6-4-12-8-5(10)3-7(11)13-14(6)8;1-10-7-8-3-5-9(11-2)6-4-8;1-12-7-3-2-5(9)4-6(7)8(10)11;1-2-9-5(8)4(6)3-7;5-2-1-3(6)8-9-4(2)7;5-3-1-2-4(6)8-7-3;1-2-3-4-5;;;/h5-10H,4,11H2,1-3H3;3-8H,9H2,1-2H3,(H,22,23);5-6,8H,3-4,7H2,1-2H3;2*3-4,7H,2,5-6,11H2,1H3;2*3-4H,2H2,1H3;3-6,10H,7H2,1-2H3;2-4,9H,1H3;3-4H,2H2,1H3;1H,(H2,7,9);1-2H,(H2,6,8);5H,2-4H2,1H3;;2*1H2/q;;;;;;;;;;;;;+1;;/p-1
• InChIKey: IDLDAMHBKLWFLR-UHFFFAOYSA-M
• XLogP: 17.96
• TPSA: 821.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 54
• Rotatable Bonds: 43
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2888.91
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate?

The IUPAC name of lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate (CID 165027172) is lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate.

What is the SMILES notation for lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate?

The canonical SMILES for lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate is CCCCO.CCCCOc1ccc(OC)c([N+](=O)[O-])c1.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc2c(Br)cc(Cl)nn12.CCOC(=O)c1cnc2c(Cl)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CNCc1ccc(OC)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)O)cnc23)cc1.COc1ccc(O)cc1[N+](=O)[O-].COc1ccc(OCCCN)cc1[N+](=O)[O-].COc1ccc(OCCCN)cc1[N+](=O)[O-].Nc1ccc(Cl)nn1.Nc1nnc(Cl)cc1Br.O.[Li+].[OH-].

What is the InChIKey of lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate?

The InChIKey is IDLDAMHBKLWFLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19ClN4O3.C16H15ClN4O3.C11H15NO4.2C10H14N2O4.C9H7BrClN3O2.C9H7Cl2N3O2.C9H13NO.C7H7NO4.C5H7ClO3.C4H3BrClN3.C4H4ClN3.C4H10O.Li.2H2O/c1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-20(9-10-3-5-11(24-2)6-4-10)12-7-14(17)19-21-13(16(22)23)8-18-15(12)21;1-3-4-7-16-9-5-6-11(15-2)10(8-9)12(13)14;2*1-15-10-4-3-8(16-6-2-5-11)7-9(10)12(13)14;2*1-2-16-9(15)6-4-12-8-5(10)3-7(11)13-14(6)8;1-10-7-8-3-5-9(11-2)6-4-8;1-12-7-3-2-5(9)4-6(7)8(10)11;1-2-9-5(8)4(6)3-7;5-2-1-3(6)8-9-4(2)7;5-3-1-2-4(6)8-7-3;1-2-3-4-5;;;/h5-10H,4,11H2,1-3H3;3-8H,9H2,1-2H3,(H,22,23);5-6,8H,3-4,7H2,1-2H3;2*3-4,7H,2,5-6,11H2,1H3;2*3-4H,2H2,1H3;3-6,10H,7H2,1-2H3;2-4,9H,1H3;3-4H,2H2,1H3;1H,(H2,7,9);1-2H,(H2,6,8);5H,2-4H2,1H3;;2*1H2/q;;;;;;;;;;;;;+1;;/p-1.

What are the key properties of lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate?

lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate has a molecular weight of 2888.91 g/mol, XLogP of 17.96, 43 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-bromo-6-chloropyridazin-3-amine;butan-1-ol;4-butoxy-1-methoxy-2-nitrobenzene;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-chloropyridazin-3-amine;ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-3-nitrophenol;bis(3-(4-methoxy-3-nitrophenoxy)propan-1-amine);1-(4-methoxyphenyl)-N-methylmethanamine;hydroxide;hydrate is sourced from PubChem (CID 165027172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).