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

C22H20F3N5O2 — CID 16622619

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

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide (PubChem CID 16622619) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
• PubChem CID: 16622619
• Molecular Formula: C22H20F3N5O2
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.16
• IUPAC Name: 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
• SMILES: COc1ccc2cc(CNC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)ccc2c1
• InChI: InChI=1S/C22H20F3N5O2/c1-12-18(13(2)30-21(27-12)28-20(29-30)22(23,24)25)10-19(31)26-11-14-4-5-16-9-17(32-3)7-6-15(16)8-14/h4-9H,10-11H2,1-3H3,(H,26,31)
• InChIKey: SEXUSOLLDDWWQZ-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	3.78
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-[(6-methoxynaphthalen-2-yl)methyl]acetamide?

The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide (CID 16622619) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide is COc1ccc2cc(CNC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)ccc2c1.

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

The InChIKey is SEXUSOLLDDWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-12-18(13(2)30-21(27-12)28-20(29-30)22(23,24)25)10-19(31)26-11-14-4-5-16-9-17(32-3)7-6-15(16)8-14/h4-9H,10-11H2,1-3H3,(H,26,31).

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

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 3.78, 5 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-[(6-methoxynaphthalen-2-yl)methyl]acetamide is sourced from PubChem (CID 16622619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).