3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine

C17H31F3N4O — CID 143807544

IUPAC3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine
SMILESCC.CN.Cc1nc(C(F)(F)F)n2c1CN(C(=O)CC(C)(C)C)CC2
InChIInChI=1S/C14H20F3N3O.C2H6.CH5N/c1-9-10-8-19(11(21)7-13(2,3)4)5-6-20(10)12(18-9)14(15,16)17;2*1-2/h5-8H2,1-4H3;1-2H3;2H2,1H3
InChIKeyVIDPQZDEGWCIIE-UHFFFAOYSA-N
MW364.46 g/mol
LogP3.59
Rot. Bonds1

About 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine

3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine (PubChem CID 143807544) has the molecular formula C17H31F3N4O and a molecular weight of 364.46 g/mol. Its IUPAC name is 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine.

Molecular Properties

Compound Name3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine
PubChem CID143807544
Molecular FormulaC17H31F3N4O
Molecular Weight364.46 g/mol
Exact Mass364.24
IUPAC Name3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine
SMILESCC.CN.Cc1nc(C(F)(F)F)n2c1CN(C(=O)CC(C)(C)C)CC2
InChIInChI=1S/C14H20F3N3O.C2H6.CH5N/c1-9-10-8-19(11(21)7-13(2,3)4)5-6-20(10)12(18-9)14(15,16)17;2*1-2/h5-8H2,1-4H3;1-2H3;2H2,1H3
InChIKeyVIDPQZDEGWCIIE-UHFFFAOYSA-N
XLogP3.59
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine?
The IUPAC name of 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine (CID 143807544) is 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine.
What is the SMILES notation for 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine?
The canonical SMILES for 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine is CC.CN.Cc1nc(C(F)(F)F)n2c1CN(C(=O)CC(C)(C)C)CC2.
What is the InChIKey of 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine?
The InChIKey is VIDPQZDEGWCIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O.C2H6.CH5N/c1-9-10-8-19(11(21)7-13(2,3)4)5-6-20(10)12(18-9)14(15,16)17;2*1-2/h5-8H2,1-4H3;1-2H3;2H2,1H3.
What are the key properties of 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine?
3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine has a molecular weight of 364.46 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]butan-1-one;ethane;methanamine is sourced from PubChem (CID 143807544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).