5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline

C20H15F2N5 — CID 99715538

About 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline

5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 99715538) has the molecular formula C20H15F2N5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline
• PubChem CID: 99715538
• Molecular Formula: C20H15F2N5
• Molecular Weight: 363.37 g/mol
• Exact Mass: 363.13
• IUPAC Name: 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline
• SMILES: Fc1ccccc1-c1nnc2ccc(N3CCc4c(F)cccc4C3)nn12
• InChI: InChI=1S/C20H15F2N5/c21-16-7-3-4-13-12-26(11-10-14(13)16)19-9-8-18-23-24-20(27(18)25-19)15-5-1-2-6-17(15)22/h1-9H,10-12H2
• InChIKey: SFWFRXRIFOAVAY-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 46.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.37
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline?

The IUPAC name of 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline (CID 99715538) is 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline is Fc1ccccc1-c1nnc2ccc(N3CCc4c(F)cccc4C3)nn12.

What is the InChIKey of 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline?

The InChIKey is SFWFRXRIFOAVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5/c21-16-7-3-4-13-12-26(11-10-14(13)16)19-9-8-18-23-24-20(27(18)25-19)15-5-1-2-6-17(15)22/h1-9H,10-12H2.

What are the key properties of 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline?

5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 363.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 99715538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).