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

C12H14F3N5 — CID 51300661

IUPAC6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C12H14F3N5/c1-8-4-6-19(7-5-8)10-3-2-9-16-17-11(12(13,14)15)20(9)18-10/h2-3,8H,4-7H2,1H3
InChIKeyXDVFDSGDKWMMIQ-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.38
Rot. Bonds1

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

6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 51300661) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID51300661
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C12H14F3N5/c1-8-4-6-19(7-5-8)10-3-2-9-16-17-11(12(13,14)15)20(9)18-10/h2-3,8H,4-7H2,1H3
InChIKeyXDVFDSGDKWMMIQ-UHFFFAOYSA-N
XLogP2.38
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 51300661) is 6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XDVFDSGDKWMMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-8-4-6-19(7-5-8)10-3-2-9-16-17-11(12(13,14)15)20(9)18-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 285.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 51300661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).