2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone

C14H18F3N5O3 — CID 91956677

IUPAC2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCC(=O)N1CCn2c(nnc2C(F)(F)F)C1)N1CCCC1
InChIInChI=1S/C14H18F3N5O3/c15-14(16,17)13-19-18-10-7-21(5-6-22(10)13)12(24)9-25-8-11(23)20-3-1-2-4-20/h1-9H2
InChIKeyFRMIOVCVJUPSIM-UHFFFAOYSA-N
MW361.32 g/mol
LogP0.28
Rot. Bonds4

About 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone

2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 91956677) has the molecular formula C14H18F3N5O3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone
PubChem CID91956677
Molecular FormulaC14H18F3N5O3
Molecular Weight361.32 g/mol
Exact Mass361.14
IUPAC Name2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCC(=O)N1CCn2c(nnc2C(F)(F)F)C1)N1CCCC1
InChIInChI=1S/C14H18F3N5O3/c15-14(16,17)13-19-18-10-7-21(5-6-22(10)13)12(24)9-25-8-11(23)20-3-1-2-4-20/h1-9H2
InChIKeyFRMIOVCVJUPSIM-UHFFFAOYSA-N
XLogP0.28
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone (CID 91956677) is 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone is O=C(COCC(=O)N1CCn2c(nnc2C(F)(F)F)C1)N1CCCC1.
What is the InChIKey of 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is FRMIOVCVJUPSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O3/c15-14(16,17)13-19-18-10-7-21(5-6-22(10)13)12(24)9-25-8-11(23)20-3-1-2-4-20/h1-9H2.
What are the key properties of 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 361.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 91956677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).