8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline

C16H14F3N5 — CID 133394249

About 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline

8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline (PubChem CID 133394249) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline.

Molecular Properties

• Compound Name: 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline
• PubChem CID: 133394249
• Molecular Formula: C16H14F3N5
• Molecular Weight: 333.32 g/mol
• Exact Mass: 333.12
• IUPAC Name: 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline
• SMILES: Cc1cccc2c(N3CCn4c(nnc4C(F)(F)F)C3)ccnc12
• InChI: InChI=1S/C16H14F3N5/c1-10-3-2-4-11-12(5-6-20-14(10)11)23-7-8-24-13(9-23)21-22-15(24)16(17,18)19/h2-6H,7-9H2,1H3
• InChIKey: LUXOYBXMTYXHFX-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.32
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline?

The IUPAC name of 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline (CID 133394249) is 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline.

What is the SMILES notation for 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline?

The canonical SMILES for 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline is Cc1cccc2c(N3CCn4c(nnc4C(F)(F)F)C3)ccnc12.

What is the InChIKey of 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline?

The InChIKey is LUXOYBXMTYXHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c1-10-3-2-4-11-12(5-6-20-14(10)11)23-7-8-24-13(9-23)21-22-15(24)16(17,18)19/h2-6H,7-9H2,1H3.

What are the key properties of 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline?

8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline has a molecular weight of 333.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline is sourced from PubChem (CID 133394249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).