1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone

C13H17F3N4O — CID 151157566

IUPAC1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)n2c1CNCC2N1CCCC1
InChIInChI=1S/C13H17F3N4O/c1-8(21)11-9-6-17-7-10(19-4-2-3-5-19)20(9)12(18-11)13(14,15)16/h10,17H,2-7H2,1H3
InChIKeyMZOHZIAJBNXDGX-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.80
Rot. Bonds2

About 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone

1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone (PubChem CID 151157566) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone
PubChem CID151157566
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone
SMILESCC(=O)c1nc(C(F)(F)F)n2c1CNCC2N1CCCC1
InChIInChI=1S/C13H17F3N4O/c1-8(21)11-9-6-17-7-10(19-4-2-3-5-19)20(9)12(18-11)13(14,15)16/h10,17H,2-7H2,1H3
InChIKeyMZOHZIAJBNXDGX-UHFFFAOYSA-N
XLogP1.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone?
The IUPAC name of 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone (CID 151157566) is 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone.
What is the SMILES notation for 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone?
The canonical SMILES for 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone is CC(=O)c1nc(C(F)(F)F)n2c1CNCC2N1CCCC1.
What is the InChIKey of 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone?
The InChIKey is MZOHZIAJBNXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-8(21)11-9-6-17-7-10(19-4-2-3-5-19)20(9)12(18-11)13(14,15)16/h10,17H,2-7H2,1H3.
What are the key properties of 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone?
1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone has a molecular weight of 302.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-pyrrolidin-1-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethanone is sourced from PubChem (CID 151157566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).