7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C17H15F4N5O — CID 133316057

IUPAC7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(OC2CCN(c3cc(C(F)(F)F)nc4ncnn34)CC2)cc1
InChIInChI=1S/C17H15F4N5O/c18-11-1-3-12(4-2-11)27-13-5-7-25(8-6-13)15-9-14(17(19,20)21)24-16-22-10-23-26(15)16/h1-4,9-10,13H,5-8H2
InChIKeyLIQMYUARFKCZCP-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.33
Rot. Bonds3

About 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133316057) has the molecular formula C17H15F4N5O and a molecular weight of 381.33 g/mol. Its IUPAC name is 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133316057
Molecular FormulaC17H15F4N5O
Molecular Weight381.33 g/mol
Exact Mass381.12
IUPAC Name7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(OC2CCN(c3cc(C(F)(F)F)nc4ncnn34)CC2)cc1
InChIInChI=1S/C17H15F4N5O/c18-11-1-3-12(4-2-11)27-13-5-7-25(8-6-13)15-9-14(17(19,20)21)24-16-22-10-23-26(15)16/h1-4,9-10,13H,5-8H2
InChIKeyLIQMYUARFKCZCP-UHFFFAOYSA-N
XLogP3.33
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133316057) is 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(OC2CCN(c3cc(C(F)(F)F)nc4ncnn34)CC2)cc1.
What is the InChIKey of 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LIQMYUARFKCZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N5O/c18-11-1-3-12(4-2-11)27-13-5-7-25(8-6-13)15-9-14(17(19,20)21)24-16-22-10-23-26(15)16/h1-4,9-10,13H,5-8H2.
What are the key properties of 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 381.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-fluorophenoxy)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133316057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).