7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C20H17F3N6O — CID 146387248

About 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146387248) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 146387248
• Molecular Formula: C20H17F3N6O
• Molecular Weight: 414.39 g/mol
• Exact Mass: 414.14
• IUPAC Name: 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: COc1ccccc1-c1nc(N)n2nc(C)nc2c1-c1cc(C)nc(C(F)(F)F)c1
• InChI: InChI=1S/C20H17F3N6O/c1-10-8-12(9-15(25-10)20(21,22)23)16-17(13-6-4-5-7-14(13)30-3)27-19(24)29-18(16)26-11(2)28-29/h4-9H,1-3H3,(H2,24,27)
• InChIKey: VREFTLCTPZVOSP-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 91.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.39
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146387248) is 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccccc1-c1nc(N)n2nc(C)nc2c1-c1cc(C)nc(C(F)(F)F)c1.

What is the InChIKey of 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is VREFTLCTPZVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c1-10-8-12(9-15(25-10)20(21,22)23)16-17(13-6-4-5-7-14(13)30-3)27-19(24)29-18(16)26-11(2)28-29/h4-9H,1-3H3,(H2,24,27).

What are the key properties of 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 414.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-methoxyphenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146387248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).