3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine

C43H26BrClF15N19O2S2 — CID 158651433

About 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine

3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine (PubChem CID 158651433) has the molecular formula C43H26BrClF15N19O2S2 and a molecular weight of 1305.27 g/mol. Its IUPAC name is 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine
• PubChem CID: 158651433
• Molecular Formula: C43H26BrClF15N19O2S2
• Molecular Weight: 1305.27 g/mol
• Exact Mass: 1303.06
• IUPAC Name: 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine
• SMILES: FC(F)(F)c1cnnc(Cl)c1.FC(F)(F)c1cnnc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2ccncn2)c1.FC(F)(F)c1cnnc(Nc2ccncn2)c1.FC(F)(F)c1nc(-c2ccc(CBr)s2)no1.Nc1ccncn1
• InChI: InChI=1S/C17H9F6N7OS.C9H6F3N5.C8H4BrF3N2OS.C5H2ClF3N2.C4H5N3/c18-16(19,20)9-5-13(28-26-6-9)30(12-3-4-24-8-25-12)7-10-1-2-11(32-10)14-27-15(31-29-14)17(21,22)23;10-9(11,12)6-3-8(17-15-4-6)16-7-1-2-13-5-14-7;9-3-4-1-2-5(16-4)6-13-7(15-14-6)8(10,11)12;6-4-1-3(2-10-11-4)5(7,8)9;5-4-1-2-6-3-7-4/h1-6,8H,7H2;1-5H,(H,13,14,16,17);1-2H,3H2;1-2H;1-3H,(H2,5,6,7)
• InChIKey: IBPKGIVHYMXURF-UHFFFAOYSA-N
• XLogP: 12.70
• TPSA: 273.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.27
LogP ≤ 5	12.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

The IUPAC name of 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine (CID 158651433) is 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine.

What is the SMILES notation for 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

The canonical SMILES for 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine is FC(F)(F)c1cnnc(Cl)c1.FC(F)(F)c1cnnc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2ccncn2)c1.FC(F)(F)c1cnnc(Nc2ccncn2)c1.FC(F)(F)c1nc(-c2ccc(CBr)s2)no1.Nc1ccncn1.

What is the InChIKey of 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

The InChIKey is IBPKGIVHYMXURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N7OS.C9H6F3N5.C8H4BrF3N2OS.C5H2ClF3N2.C4H5N3/c18-16(19,20)9-5-13(28-26-6-9)30(12-3-4-24-8-25-12)7-10-1-2-11(32-10)14-27-15(31-29-14)17(21,22)23;10-9(11,12)6-3-8(17-15-4-6)16-7-1-2-13-5-14-7;9-3-4-1-2-5(16-4)6-13-7(15-14-6)8(10,11)12;6-4-1-3(2-10-11-4)5(7,8)9;5-4-1-2-6-3-7-4/h1-6,8H,7H2;1-5H,(H,13,14,16,17);1-2H,3H2;1-2H;1-3H,(H2,5,6,7).

What are the key properties of 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine?

3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine has a molecular weight of 1305.27 g/mol, XLogP of 12.70, 9 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole;3-chloro-5-(trifluoromethyl)pyridazine;pyrimidin-4-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)pyridazin-3-amine;N-pyrimidin-4-yl-5-(trifluoromethyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 158651433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).