1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one

C14H17F3N6O — CID 133366729

IUPAC1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2cc(C)nc3nc(C(F)(F)F)nn23)C1
InChIInChI=1S/C14H17F3N6O/c1-3-11(24)22-5-4-9(7-22)19-10-6-8(2)18-13-20-12(14(15,16)17)21-23(10)13/h6,9,19H,3-5,7H2,1-2H3
InChIKeyURZIYDKQXSFBNF-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.87
Rot. Bonds3

About 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one

1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one (PubChem CID 133366729) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one
PubChem CID133366729
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2cc(C)nc3nc(C(F)(F)F)nn23)C1
InChIInChI=1S/C14H17F3N6O/c1-3-11(24)22-5-4-9(7-22)19-10-6-8(2)18-13-20-12(14(15,16)17)21-23(10)13/h6,9,19H,3-5,7H2,1-2H3
InChIKeyURZIYDKQXSFBNF-UHFFFAOYSA-N
XLogP1.87
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one (CID 133366729) is 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2cc(C)nc3nc(C(F)(F)F)nn23)C1.
What is the InChIKey of 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is URZIYDKQXSFBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-3-11(24)22-5-4-9(7-22)19-10-6-8(2)18-13-20-12(14(15,16)17)21-23(10)13/h6,9,19H,3-5,7H2,1-2H3.
What are the key properties of 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one?
1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 342.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 133366729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).