4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one

C11H12F3N5O2 — CID 78998683

IUPAC4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CN1
InChIInChI=1S/C11H12F3N5O2/c12-11(13,14)10-17-16-7-5-18(1-2-19(7)10)9(21)6-3-8(20)15-4-6/h6H,1-5H2,(H,15,20)
InChIKeyPUOGWQXDBCYUEE-UHFFFAOYSA-N
MW303.24 g/mol
LogP-0.22
Rot. Bonds1

About 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one

4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one (PubChem CID 78998683) has the molecular formula C11H12F3N5O2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one
PubChem CID78998683
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC Name4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CN1
InChIInChI=1S/C11H12F3N5O2/c12-11(13,14)10-17-16-7-5-18(1-2-19(7)10)9(21)6-3-8(20)15-4-6/h6H,1-5H2,(H,15,20)
InChIKeyPUOGWQXDBCYUEE-UHFFFAOYSA-N
XLogP-0.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one (CID 78998683) is 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CN1.
What is the InChIKey of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one?
The InChIKey is PUOGWQXDBCYUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c12-11(13,14)10-17-16-7-5-18(1-2-19(7)10)9(21)6-3-8(20)15-4-6/h6H,1-5H2,(H,15,20).
What are the key properties of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one?
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one has a molecular weight of 303.24 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 78998683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).