2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide

C24H21F3N6O — CID 24615580

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 24615580) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide
• PubChem CID: 24615580
• Molecular Formula: C24H21F3N6O
• Molecular Weight: 466.47 g/mol
• Exact Mass: 466.17
• IUPAC Name: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)ccc21
• InChI: InChI=1S/C24H21F3N6O/c1-4-32-19-8-6-5-7-16(19)18-11-15(9-10-20(18)32)29-21(34)12-17-13(2)28-23-30-22(24(25,26)27)31-33(23)14(17)3/h5-11H,4,12H2,1-3H3,(H,29,34)
• InChIKey: VITRUFRCMDUZRZ-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.47
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide?

The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide (CID 24615580) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide.

What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide?

The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)ccc21.

What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide?

The InChIKey is VITRUFRCMDUZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-4-32-19-8-6-5-7-16(19)18-11-15(9-10-20(18)32)29-21(34)12-17-13(2)28-23-30-22(24(25,26)27)31-33(23)14(17)3/h5-11H,4,12H2,1-3H3,(H,29,34).

What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide?

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 466.47 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 24615580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).