7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H16F3N5 — CID 64576326

IUPAC7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(C1CCCNC1)C2
InChIInChI=1S/C11H16F3N5/c12-11(13,14)10-17-16-9-7-18(4-5-19(9)10)8-2-1-3-15-6-8/h8,15H,1-7H2
InChIKeyUKKRXOCGWYBWIA-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.86
Rot. Bonds1

About 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64576326) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64576326
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(C1CCCNC1)C2
InChIInChI=1S/C11H16F3N5/c12-11(13,14)10-17-16-9-7-18(4-5-19(9)10)8-2-1-3-15-6-8/h8,15H,1-7H2
InChIKeyUKKRXOCGWYBWIA-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64576326) is 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2n1CCN(C1CCCNC1)C2.
What is the InChIKey of 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UKKRXOCGWYBWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c12-11(13,14)10-17-16-9-7-18(4-5-19(9)10)8-2-1-3-15-6-8/h8,15H,1-7H2.
What are the key properties of 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 275.28 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-3-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64576326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).