3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide

C66H37Cl4F20I3N15O3- — CID 159392376

About 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide

3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide (PubChem CID 159392376) has the molecular formula C66H37Cl4F20I3N15O3- and a molecular weight of 1990.61 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide.

Molecular Properties

• Compound Name: 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide
• PubChem CID: 159392376
• Molecular Formula: C66H37Cl4F20I3N15O3-
• Molecular Weight: 1990.61 g/mol
• Exact Mass: 1987.88
• IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide
• SMILES: Cc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nn1.FC(F)(F)c1ccc(-c2ccc(CCl)nn2)c(C(F)(F)F)c1.Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1.Fc1ccccc1-c1nc2ccncc2[nH]1.I[I-]I.O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl
• InChI: InChI=1S/C25H14F7N5.C13H7ClF6N2.C13H8F6N2.C12H8FN3.C3Cl3N3O3.I3/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32;14-6-8-2-4-11(22-21-8)9-3-1-7(12(15,16)17)5-10(9)13(18,19)20;1-7-2-5-11(21-20-7)9-4-3-8(12(14,15)16)6-10(9)13(17,18)19;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;4-7-1(10)8(5)3(12)9(6)2(7)11;1-3-2/h1-11,13H,12H2;1-5H,6H2;2-6H,1H3;1-7H,(H,15,16);;/q;;;;;-1
• InChIKey: QVZWIZHIPHOSLC-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 215.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.61
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide?

The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide (CID 159392376) is 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide.

What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide?

The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide is Cc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nn1.FC(F)(F)c1ccc(-c2ccc(CCl)nn2)c(C(F)(F)F)c1.Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1.Fc1ccccc1-c1nc2ccncc2[nH]1.I[I-]I.O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl.

What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide?

The InChIKey is QVZWIZHIPHOSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F7N5.C13H7ClF6N2.C13H8F6N2.C12H8FN3.C3Cl3N3O3.I3/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32;14-6-8-2-4-11(22-21-8)9-3-1-7(12(15,16)17)5-10(9)13(18,19)20;1-7-2-5-11(21-20-7)9-4-3-8(12(14,15)16)6-10(9)13(17,18)19;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;4-7-1(10)8(5)3(12)9(6)2(7)11;1-3-2/h1-11,13H,12H2;1-5H,6H2;2-6H,1H3;1-7H,(H,15,16);;/q;;;;;-1.

What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide?

3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide has a molecular weight of 1990.61 g/mol, XLogP of 16.86, 8 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;3-[2,4-bis(trifluoromethyl)phenyl]-6-methylpyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione;triiodide is sourced from PubChem (CID 159392376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).