2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide

C16H17FN6O2 — CID 43957783

About 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide

2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide (PubChem CID 43957783) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
• PubChem CID: 43957783
• Molecular Formula: C16H17FN6O2
• Molecular Weight: 344.35 g/mol
• Exact Mass: 344.14
• IUPAC Name: 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
• SMILES: O=C(NCCc1nnc2ccc(NCCO)nn12)c1ccccc1F
• InChI: InChI=1S/C16H17FN6O2/c17-12-4-2-1-3-11(12)16(25)19-8-7-15-21-20-14-6-5-13(18-9-10-24)22-23(14)15/h1-6,24H,7-10H2,(H,18,22)(H,19,25)
• InChIKey: BJIKJEUAMJRYFZ-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 104.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.35
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide?

The IUPAC name of 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide (CID 43957783) is 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide?

The canonical SMILES for 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide is O=C(NCCc1nnc2ccc(NCCO)nn12)c1ccccc1F.

What is the InChIKey of 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide?

The InChIKey is BJIKJEUAMJRYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c17-12-4-2-1-3-11(12)16(25)19-8-7-15-21-20-14-6-5-13(18-9-10-24)22-23(14)15/h1-6,24H,7-10H2,(H,18,22)(H,19,25).

What are the key properties of 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide?

2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide has a molecular weight of 344.35 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[2-[6-(2-hydroxyethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide is sourced from PubChem (CID 43957783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).