1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone

C14H13F3N4O2 — CID 154835572

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C(O)c1cccc(C(F)(F)F)c1)N1CCn2ncnc2C1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)10-3-1-2-9(6-10)12(22)13(23)20-4-5-21-11(7-20)18-8-19-21/h1-3,6,8,12,22H,4-5,7H2
InChIKeyNFLIHELGHLYSNK-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.37
Rot. Bonds2

About 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone

1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 154835572) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID154835572
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C(O)c1cccc(C(F)(F)F)c1)N1CCn2ncnc2C1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)10-3-1-2-9(6-10)12(22)13(23)20-4-5-21-11(7-20)18-8-19-21/h1-3,6,8,12,22H,4-5,7H2
InChIKeyNFLIHELGHLYSNK-UHFFFAOYSA-N
XLogP1.37
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154835833
2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154845337
1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154842855
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 127906304
6-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 175864907
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 138045939
6-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 157027715
2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 136565944
1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119402443
6-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]-2-[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]-5,7,8,9-tetrahydro-3H-pyrimido[5,4-c]azepin-4-one
CID 166815746
2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 166815793
2-hydroxy-1-[2-[1-(3-propan-2-ylphenyl)cyclopropyl]-1,4,5,7,8,9-hexahydropyrimido[5,4-c]azepin-6-yl]-2-[3-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 166518424

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone (CID 154835572) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(C(O)c1cccc(C(F)(F)F)c1)N1CCn2ncnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is NFLIHELGHLYSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)10-3-1-2-9(6-10)12(22)13(23)20-4-5-21-11(7-20)18-8-19-21/h1-3,6,8,12,22H,4-5,7H2.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 326.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 154835572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).