3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C23H23FN6 — CID 133439655

About 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133439655) has the molecular formula C23H23FN6 and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• PubChem CID: 133439655
• Molecular Formula: C23H23FN6
• Molecular Weight: 402.48 g/mol
• Exact Mass: 402.20
• IUPAC Name: 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• SMILES: Fc1ccccc1-c1nnc2ccc(NCc3ccccc3N3CCCCC3)nn12
• InChI: InChI=1S/C23H23FN6/c24-19-10-4-3-9-18(19)23-27-26-22-13-12-21(28-30(22)23)25-16-17-8-2-5-11-20(17)29-14-6-1-7-15-29/h2-5,8-13H,1,6-7,14-16H2,(H,25,28)
• InChIKey: CTPXNUBCTXPJSV-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 58.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.48
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The IUPAC name of 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133439655) is 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

What is the SMILES notation for 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The canonical SMILES for 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccccc1-c1nnc2ccc(NCc3ccccc3N3CCCCC3)nn12.

What is the InChIKey of 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The InChIKey is CTPXNUBCTXPJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6/c24-19-10-4-3-9-18(19)23-27-26-22-13-12-21(28-30(22)23)25-16-17-8-2-5-11-20(17)29-14-6-1-7-15-29/h2-5,8-13H,1,6-7,14-16H2,(H,25,28).

What are the key properties of 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 402.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133439655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).