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

C11H12F3N5 — CID 95798334

IUPAC7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2nccc(C3CCNCC3)n2n1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)9-17-10-16-6-3-8(19(10)18-9)7-1-4-15-5-2-7/h3,6-7,15H,1-2,4-5H2
InChIKeyITBLGYBVQAYSRS-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.61
Rot. Bonds1

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

7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 95798334) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID95798334
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2nccc(C3CCNCC3)n2n1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)9-17-10-16-6-3-8(19(10)18-9)7-1-4-15-5-2-7/h3,6-7,15H,1-2,4-5H2
InChIKeyITBLGYBVQAYSRS-UHFFFAOYSA-N
XLogP1.61
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 95798334) is 7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1nc2nccc(C3CCNCC3)n2n1.
What is the InChIKey of 7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ITBLGYBVQAYSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)9-17-10-16-6-3-8(19(10)18-9)7-1-4-15-5-2-7/h3,6-7,15H,1-2,4-5H2.
What are the key properties of 7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 271.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95798334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).