1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

C9H7F3N4O — CID 2041236

IUPAC1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cnc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C9H7F3N4O/c1-4-6(5(2)17)3-13-8-14-7(9(10,11)12)15-16(4)8/h3H,1-2H3
InChIKeyWXNBQTQNKVMTHP-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.65
Rot. Bonds1

About 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 2041236) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID2041236
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cnc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C9H7F3N4O/c1-4-6(5(2)17)3-13-8-14-7(9(10,11)12)15-16(4)8/h3H,1-2H3
InChIKeyWXNBQTQNKVMTHP-UHFFFAOYSA-N
XLogP1.65
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 71668653
4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 66499397
7-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84685593
1-[3-(4-chlorophenyl)-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 21379629
N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 16620852
(4-methylphenyl) 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 24615566
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 16622528
ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 16583864
N-cyclopentyl-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 17445392
8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505620
8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505586
ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 66490634

Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 2041236) is 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1cnc2nc(C(F)(F)F)nn2c1C.
What is the InChIKey of 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is WXNBQTQNKVMTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-4-6(5(2)17)3-13-8-14-7(9(10,11)12)15-16(4)8/h3H,1-2H3.
What are the key properties of 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 244.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 2041236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).