2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C11H16F3N5 — CID 136837409

IUPAC2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CCNc2nc(N3CCCCC3)nn21
InChIInChI=1S/C11H16F3N5/c12-11(13,14)8-4-5-15-9-16-10(17-19(8)9)18-6-2-1-3-7-18/h8H,1-7H2,(H,15,16,17)
InChIKeyAKCRXDFRKKZDEP-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.19
Rot. Bonds1

About 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136837409) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136837409
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CCNc2nc(N3CCCCC3)nn21
InChIInChI=1S/C11H16F3N5/c12-11(13,14)8-4-5-15-9-16-10(17-19(8)9)18-6-2-1-3-7-18/h8H,1-7H2,(H,15,16,17)
InChIKeyAKCRXDFRKKZDEP-UHFFFAOYSA-N
XLogP2.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-Methyl-7-(trifluoromethyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-A]pyrimidine
CID 659492
(5S,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744110
(5R,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744111
(5S,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744112
(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744113
7-(Difluoromethyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709377
7-(Difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136710354
5-Methyl-2-piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136710361
2-Piperazin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136710367
7-(Difluoromethyl)-2-piperidin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136837392
5-Methyl-2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136837399
7-(Difluoromethyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840235

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136837409) is 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)C1CCNc2nc(N3CCCCC3)nn21.
What is the InChIKey of 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AKCRXDFRKKZDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c12-11(13,14)8-4-5-15-9-16-10(17-19(8)9)18-6-2-1-3-7-18/h8H,1-7H2,(H,15,16,17).
What are the key properties of 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 275.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).