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

C12H15F3N4O — CID 86685645

IUPACpyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2c1CNCC2)N1CCCC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-17-9(8-7-16-3-6-19(8)11)10(20)18-4-1-2-5-18/h16H,1-7H2
InChIKeySWLIEGXUSVCMJU-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.24
Rot. Bonds1

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

pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone (PubChem CID 86685645) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
PubChem CID86685645
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Namepyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2c1CNCC2)N1CCCC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-17-9(8-7-16-3-6-19(8)11)10(20)18-4-1-2-5-18/h16H,1-7H2
InChIKeySWLIEGXUSVCMJU-UHFFFAOYSA-N
XLogP1.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone (CID 86685645) is pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone is O=C(c1nc(C(F)(F)F)n2c1CNCC2)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The InChIKey is SWLIEGXUSVCMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)11-17-9(8-7-16-3-6-19(8)11)10(20)18-4-1-2-5-18/h16H,1-7H2.
What are the key properties of pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone has a molecular weight of 288.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone is sourced from PubChem (CID 86685645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).