1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine

C26H15F3N4O — CID 151769224

About 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine

1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine (PubChem CID 151769224) has the molecular formula C26H15F3N4O and a molecular weight of 456.43 g/mol. Its IUPAC name is 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine.

Molecular Properties

• Compound Name: 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine
• PubChem CID: 151769224
• Molecular Formula: C26H15F3N4O
• Molecular Weight: 456.43 g/mol
• Exact Mass: 456.12
• IUPAC Name: 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine
• SMILES: FC(F)(F)Oc1ccc(-c2ccc3nnc(-c4cccc5nc6ccccc6cc45)n3c2)cc1
• InChI: InChI=1S/C26H15F3N4O/c27-26(28,29)34-19-11-8-16(9-12-19)18-10-13-24-31-32-25(33(24)15-18)20-5-3-7-23-21(20)14-17-4-1-2-6-22(17)30-23/h1-15H
• InChIKey: RSFVPXAGARURDO-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 52.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.43
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine?

The IUPAC name of 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine (CID 151769224) is 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine.

What is the SMILES notation for 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine?

The canonical SMILES for 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine is FC(F)(F)Oc1ccc(-c2ccc3nnc(-c4cccc5nc6ccccc6cc45)n3c2)cc1.

What is the InChIKey of 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine?

The InChIKey is RSFVPXAGARURDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F3N4O/c27-26(28,29)34-19-11-8-16(9-12-19)18-10-13-24-31-32-25(33(24)15-18)20-5-3-7-23-21(20)14-17-4-1-2-6-22(17)30-23/h1-15H.

What are the key properties of 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine?

1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine has a molecular weight of 456.43 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine is sourced from PubChem (CID 151769224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).