1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine

C20H19FN6 — CID 133429685

About 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine

1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine (PubChem CID 133429685) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine.

Molecular Properties

• Compound Name: 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine
• PubChem CID: 133429685
• Molecular Formula: C20H19FN6
• Molecular Weight: 362.41 g/mol
• Exact Mass: 362.17
• IUPAC Name: 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine
• SMILES: CC(CNc1ccc2nnc(-c3ccccc3F)n2n1)Nc1ccccc1
• InChI: InChI=1S/C20H19FN6/c1-14(23-15-7-3-2-4-8-15)13-22-18-11-12-19-24-25-20(27(19)26-18)16-9-5-6-10-17(16)21/h2-12,14,23H,13H2,1H3,(H,22,26)
• InChIKey: KPAWIWONEPBJGT-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 67.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.41
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine?

The IUPAC name of 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine (CID 133429685) is 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine.

What is the SMILES notation for 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine?

The canonical SMILES for 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine is CC(CNc1ccc2nnc(-c3ccccc3F)n2n1)Nc1ccccc1.

What is the InChIKey of 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine?

The InChIKey is KPAWIWONEPBJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-14(23-15-7-3-2-4-8-15)13-22-18-11-12-19-24-25-20(27(19)26-18)16-9-5-6-10-17(16)21/h2-12,14,23H,13H2,1H3,(H,22,26).

What are the key properties of 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine?

1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine has a molecular weight of 362.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 133429685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).