6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C11H12F3N5 — CID 683253

IUPAC6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C11H12F3N5/c12-11(13,14)10-16-15-8-4-5-9(17-19(8)10)18-6-2-1-3-7-18/h4-5H,1-3,6-7H2
InChIKeyOIIAVBIQRXMPKJ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.13
Rot. Bonds1

About 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 683253) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID683253
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C11H12F3N5/c12-11(13,14)10-16-15-8-4-5-9(17-19(8)10)18-6-2-1-3-7-18/h4-5H,1-3,6-7H2
InChIKeyOIIAVBIQRXMPKJ-UHFFFAOYSA-N
XLogP2.13
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 683253) is 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CCCCC3)nn12.
What is the InChIKey of 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OIIAVBIQRXMPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)10-16-15-8-4-5-9(17-19(8)10)18-6-2-1-3-7-18/h4-5H,1-3,6-7H2.
What are the key properties of 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 271.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 683253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).