2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol

C22H25F3N4O — CID 71235303

About 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol

2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol (PubChem CID 71235303) has the molecular formula C22H25F3N4O and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol
• PubChem CID: 71235303
• Molecular Formula: C22H25F3N4O
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.20
• IUPAC Name: 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol
• SMILES: CC(C)(O)C1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)CC1
• InChI: InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)26-18-10-11-19-27-28-20(29(19)13-18)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,26,30H,6-9H2,1-2H3
• InChIKey: BEGBEWMECAKSHX-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 62.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol?

The IUPAC name of 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol (CID 71235303) is 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol.

What is the SMILES notation for 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol?

The canonical SMILES for 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)CC1.

What is the InChIKey of 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol?

The InChIKey is BEGBEWMECAKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)26-18-10-11-19-27-28-20(29(19)13-18)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,26,30H,6-9H2,1-2H3.

What are the key properties of 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol?

2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol has a molecular weight of 418.46 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 71235303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).