2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane

C15H24F3N3O — CID 143827431

About 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane

2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane (PubChem CID 143827431) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane.

Molecular Properties

• Compound Name: 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane
• PubChem CID: 143827431
• Molecular Formula: C15H24F3N3O
• Molecular Weight: 319.37 g/mol
• Exact Mass: 319.19
• IUPAC Name: 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane
• SMILES: CCC.CCC(C)C(=O)c1nc(C(F)(F)F)n2c1CNCC2
• InChI: InChI=1S/C12H16F3N3O.C3H8/c1-3-7(2)10(19)9-8-6-16-4-5-18(8)11(17-9)12(13,14)15;1-3-2/h7,16H,3-6H2,1-2H3;3H2,1-2H3
• InChIKey: CIYAZUANPRBRKE-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane?

The IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane (CID 143827431) is 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane.

What is the SMILES notation for 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane?

The canonical SMILES for 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane is CCC.CCC(C)C(=O)c1nc(C(F)(F)F)n2c1CNCC2.

What is the InChIKey of 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane?

The InChIKey is CIYAZUANPRBRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O.C3H8/c1-3-7(2)10(19)9-8-6-16-4-5-18(8)11(17-9)12(13,14)15;1-3-2/h7,16H,3-6H2,1-2H3;3H2,1-2H3.

What are the key properties of 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane?

2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane has a molecular weight of 319.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane is sourced from PubChem (CID 143827431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).