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

C23H17FN6 — CID 133332673

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

3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133332673) has the molecular formula C23H17FN6 and a molecular weight of 396.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: 3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• PubChem CID: 133332673
• Molecular Formula: C23H17FN6
• Molecular Weight: 396.43 g/mol
• Exact Mass: 396.15
• IUPAC Name: 3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• SMILES: Fc1ccccc1-c1nnc2ccc(NCc3ccc(-c4cccnc4)cc3)nn12
• InChI: InChI=1S/C23H17FN6/c24-20-6-2-1-5-19(20)23-28-27-22-12-11-21(29-30(22)23)26-14-16-7-9-17(10-8-16)18-4-3-13-25-15-18/h1-13,15H,14H2,(H,26,29)
• InChIKey: RUZNIWIEJVMEBG-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 68.00 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	396.43
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133332673) is 3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

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

The canonical SMILES for 3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccccc1-c1nnc2ccc(NCc3ccc(-c4cccnc4)cc3)nn12.

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

The InChIKey is RUZNIWIEJVMEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6/c24-20-6-2-1-5-19(20)23-28-27-22-12-11-21(29-30(22)23)26-14-16-7-9-17(10-8-16)18-4-3-13-25-15-18/h1-13,15H,14H2,(H,26,29).

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

3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 396.43 g/mol, XLogP of 4.60, 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-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133332673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).