3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one

C13H18F3N3O — CID 67977979

IUPAC3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C13H18F3N3O/c1-12(2,3)6-11(20)19-5-4-18-7-9(13(14,15)16)17-10(18)8-19/h7H,4-6,8H2,1-3H3
InChIKeyCTZVBDXDCLLGLX-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.68
Rot. Bonds1

About 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one

3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (PubChem CID 67977979) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
PubChem CID67977979
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C13H18F3N3O/c1-12(2,3)6-11(20)19-5-4-18-7-9(13(14,15)16)17-10(18)8-19/h7H,4-6,8H2,1-3H3
InChIKeyCTZVBDXDCLLGLX-UHFFFAOYSA-N
XLogP2.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (CID 67977979) is 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is CC(C)(C)CC(=O)N1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The InChIKey is CTZVBDXDCLLGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-12(2,3)6-11(20)19-5-4-18-7-9(13(14,15)16)17-10(18)8-19/h7H,4-6,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one has a molecular weight of 289.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is sourced from PubChem (CID 67977979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).