2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide

C11H12F3N3O2 — CID 71192986

IUPAC2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide
SMILESNC(=O)CN1CCn2c(cc(C(F)(F)F)cc2=O)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-3-8-5-16(6-9(15)18)1-2-17(8)10(19)4-7/h3-4H,1-2,5-6H2,(H2,15,18)
InChIKeyKDMDIOXBNBVEKI-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.17
Rot. Bonds2

About 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide

2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 71192986) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide
PubChem CID71192986
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide
SMILESNC(=O)CN1CCn2c(cc(C(F)(F)F)cc2=O)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-3-8-5-16(6-9(15)18)1-2-17(8)10(19)4-7/h3-4H,1-2,5-6H2,(H2,15,18)
InChIKeyKDMDIOXBNBVEKI-UHFFFAOYSA-N
XLogP0.17
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide?
The IUPAC name of 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide (CID 71192986) is 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide?
The canonical SMILES for 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide is NC(=O)CN1CCn2c(cc(C(F)(F)F)cc2=O)C1.
What is the InChIKey of 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide?
The InChIKey is KDMDIOXBNBVEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-3-8-5-16(6-9(15)18)1-2-17(8)10(19)4-7/h3-4H,1-2,5-6H2,(H2,15,18).
What are the key properties of 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide?
2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 275.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 71192986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).