1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

C8H5F3N4O — CID 84793536

IUPAC1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H5F3N4O/c1-4(16)5-2-12-7-13-6(8(9,10)11)14-15(7)3-5/h2-3H,1H3
InChIKeyUMOBNZNXVWBZQZ-UHFFFAOYSA-N
MW230.15 g/mol
LogP1.35
Rot. Bonds1

About 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 84793536) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID84793536
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H5F3N4O/c1-4(16)5-2-12-7-13-6(8(9,10)11)14-15(7)3-5/h2-3H,1H3
InChIKeyUMOBNZNXVWBZQZ-UHFFFAOYSA-N
XLogP1.35
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-Methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2041236
1-(6-Fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 91317085
1-(2-Amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
CID 117816815
1-(2-Amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 118137331
3-Methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 141038892
N-[3-(difluoromethyl)-1-methylidenepyrazol-1-ium-4-yl]-6-ethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156823348
1-[5-Methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 16457389
2,2,2-Trifluoro-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 65615609
2,2,2-Trifluoro-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 65621162
2,2,2-Trifluoro-1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 65621360
1-[1-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 65621361
2,2,2-Trifluoro-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrazol-4-yl]ethanone
CID 65621362

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 84793536) is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is UMOBNZNXVWBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c1-4(16)5-2-12-7-13-6(8(9,10)11)14-15(7)3-5/h2-3H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 230.15 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 84793536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).