1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one

C16H20F3N5O2 — CID 143301896

IUPAC1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one
SMILESO=C(CC1(CN2CCCC2=O)CC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)14-21-20-11-9-22(6-7-24(11)14)13(26)8-15(3-4-15)10-23-5-1-2-12(23)25/h1-10H2
InChIKeyQSORDMRVUMBGDW-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.43
Rot. Bonds4

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

1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one (PubChem CID 143301896) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one
PubChem CID143301896
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one
SMILESO=C(CC1(CN2CCCC2=O)CC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)14-21-20-11-9-22(6-7-24(11)14)13(26)8-15(3-4-15)10-23-5-1-2-12(23)25/h1-10H2
InChIKeyQSORDMRVUMBGDW-UHFFFAOYSA-N
XLogP1.43
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one (CID 143301896) is 1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one is O=C(CC1(CN2CCCC2=O)CC1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one?
The InChIKey is QSORDMRVUMBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c17-16(18,19)14-21-20-11-9-22(6-7-24(11)14)13(26)8-15(3-4-15)10-23-5-1-2-12(23)25/h1-10H2.
What are the key properties of 1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one?
1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one has a molecular weight of 371.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 143301896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).