3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine

C26H27N5O2 — CID 167437281

About 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine

3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine (PubChem CID 167437281) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine.

Molecular Properties

• Compound Name: 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
• PubChem CID: 167437281
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
• SMILES: CC(C)(c1ccc(Oc2ccc(-n3nccn3)nc2)cc1)c1ccc(OC2CC(N)C2)cc1
• InChI: InChI=1S/C26H27N5O2/c1-26(2,19-5-9-22(10-6-19)33-24-15-20(27)16-24)18-3-7-21(8-4-18)32-23-11-12-25(28-17-23)31-29-13-14-30-31/h3-14,17,20,24H,15-16,27H2,1-2H3
• InChIKey: KCRIGNSBGIEQFA-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine?

The IUPAC name of 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine (CID 167437281) is 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine.

What is the SMILES notation for 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine?

The canonical SMILES for 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine is CC(C)(c1ccc(Oc2ccc(-n3nccn3)nc2)cc1)c1ccc(OC2CC(N)C2)cc1.

What is the InChIKey of 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine?

The InChIKey is KCRIGNSBGIEQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-26(2,19-5-9-22(10-6-19)33-24-15-20(27)16-24)18-3-7-21(8-4-18)32-23-11-12-25(28-17-23)31-29-13-14-30-31/h3-14,17,20,24H,15-16,27H2,1-2H3.

What are the key properties of 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine?

3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine has a molecular weight of 441.54 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine is sourced from PubChem (CID 167437281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).