3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine

C34H46F4N10O2 — CID 143900532

About 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine

3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine (PubChem CID 143900532) has the molecular formula C34H46F4N10O2 and a molecular weight of 702.80 g/mol. Its IUPAC name is 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine.

Molecular Properties

• Compound Name: 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine
• PubChem CID: 143900532
• Molecular Formula: C34H46F4N10O2
• Molecular Weight: 702.80 g/mol
• Exact Mass: 702.37
• IUPAC Name: 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine
• SMILES: CC(C)(CCCCF)c1cn(-c2cncc(OCC3CCN3)c2)nn1.FC(F)(F)CCCCc1cn(-c2cncc(OCC3CCN3)c2)nn1
• InChI: InChI=1S/C18H26FN5O.C16H20F3N5O/c1-18(2,6-3-4-7-19)17-12-24(23-22-17)15-9-16(11-20-10-15)25-13-14-5-8-21-14;17-16(18,19)5-2-1-3-12-10-24(23-22-12)14-7-15(9-20-8-14)25-11-13-4-6-21-13/h9-12,14,21H,3-8,13H2,1-2H3;7-10,13,21H,1-6,11H2
• InChIKey: SGAVALBHXOZMFJ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 129.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	702.80
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine?

The IUPAC name of 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine (CID 143900532) is 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine.

What is the SMILES notation for 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine?

The canonical SMILES for 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine is CC(C)(CCCCF)c1cn(-c2cncc(OCC3CCN3)c2)nn1.FC(F)(F)CCCCc1cn(-c2cncc(OCC3CCN3)c2)nn1.

What is the InChIKey of 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine?

The InChIKey is SGAVALBHXOZMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O.C16H20F3N5O/c1-18(2,6-3-4-7-19)17-12-24(23-22-17)15-9-16(11-20-10-15)25-13-14-5-8-21-14;17-16(18,19)5-2-1-3-12-10-24(23-22-12)14-7-15(9-20-8-14)25-11-13-4-6-21-13/h9-12,14,21H,3-8,13H2,1-2H3;7-10,13,21H,1-6,11H2.

What are the key properties of 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine?

3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine has a molecular weight of 702.80 g/mol, XLogP of 5.50, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(azetidin-2-ylmethoxy)-5-[4-(6-fluoro-2-methylhexan-2-yl)triazol-1-yl]pyridine;3-(azetidin-2-ylmethoxy)-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine is sourced from PubChem (CID 143900532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).