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

C15H16F3N5O3 — CID 71700831

IUPAC1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one
SMILESCc1cc(=O)c(OCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cn1C
InChIInChI=1S/C15H16F3N5O3/c1-9-5-10(24)11(6-21(9)2)26-8-13(25)22-3-4-23-12(7-22)19-20-14(23)15(16,17)18/h5-6H,3-4,7-8H2,1-2H3
InChIKeyVPDUNCPCMGCCFG-UHFFFAOYSA-N
MW371.32 g/mol
LogP0.73
Rot. Bonds3

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

1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one (PubChem CID 71700831) has the molecular formula C15H16F3N5O3 and a molecular weight of 371.32 g/mol. Its IUPAC name is 1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one
PubChem CID71700831
Molecular FormulaC15H16F3N5O3
Molecular Weight371.32 g/mol
Exact Mass371.12
IUPAC Name1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one
SMILESCc1cc(=O)c(OCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cn1C
InChIInChI=1S/C15H16F3N5O3/c1-9-5-10(24)11(6-21(9)2)26-8-13(25)22-3-4-23-12(7-22)19-20-14(23)15(16,17)18/h5-6H,3-4,7-8H2,1-2H3
InChIKeyVPDUNCPCMGCCFG-UHFFFAOYSA-N
XLogP0.73
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 115950356
1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butane-1,3-dione
CID 64577522
4-hydroxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 79191312
2-(2-chloro-4-methylphenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 166220907
methyl 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 115642436
5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one
CID 71701833
3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbothioic S-acid
CID 155331103
[1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl] carbamate
CID 67532327
3-(1-ethyl-3-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 91956640
(3R)-3-hydroxy-3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 162558865
methanamine;1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-[(2,4,5-trifluorophenyl)methylamino]ethanone
CID 144649415
2-(prop-2-enylamino)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 79280064

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one?
The IUPAC name of 1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one (CID 71700831) is 1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one.
What is the SMILES notation for 1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one?
The canonical SMILES for 1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one is Cc1cc(=O)c(OCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cn1C.
What is the InChIKey of 1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one?
The InChIKey is VPDUNCPCMGCCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3/c1-9-5-10(24)11(6-21(9)2)26-8-13(25)22-3-4-23-12(7-22)19-20-14(23)15(16,17)18/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one?
1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one has a molecular weight of 371.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]pyridin-4-one is sourced from PubChem (CID 71700831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).