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

C9H7F3N4O — CID 84802570

IUPAC1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one
SMILESCC(=O)Cc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H7F3N4O/c1-5(17)2-6-3-13-8-14-7(9(10,11)12)15-16(8)4-6/h3-4H,2H2,1H3
InChIKeyREQPAWVPOWYTFN-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.27
Rot. Bonds2

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

1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one (PubChem CID 84802570) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one
PubChem CID84802570
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one
SMILESCC(=O)Cc1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H7F3N4O/c1-5(17)2-6-3-13-8-14-7(9(10,11)12)15-16(8)4-6/h3-4H,2H2,1H3
InChIKeyREQPAWVPOWYTFN-UHFFFAOYSA-N
XLogP1.27
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one with MolForge

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Related Compounds

6-(2-Oxopropyl)-1,2,4-triazolo[1,5-a]pyrimidine
CID 684192
1-(2-Amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
CID 117816815
1-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 84726113
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 84793536
1-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-2-one
CID 84801947
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-ol
CID 84802568
2-Amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 84802815
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-amine
CID 84802831
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84803125
3-Amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-one
CID 84806137
2-Amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-one
CID 84806138
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine
CID 84806147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
The IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one (CID 84802570) is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one.
What is the SMILES notation for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
The canonical SMILES for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one is CC(=O)Cc1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
The InChIKey is REQPAWVPOWYTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-5(17)2-6-3-13-8-14-7(9(10,11)12)15-16(8)4-6/h3-4H,2H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one?
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one has a molecular weight of 244.18 g/mol, XLogP of 1.27, 2 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]propan-2-one is sourced from PubChem (CID 84802570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).