6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C21H25F2N5 — CID 126910569

IUPAC6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)(C)c1ccc2nnc(C3CCN(Cc4cc(F)ccc4F)CC3)n2n1
InChIInChI=1S/C21H25F2N5/c1-21(2,3)18-6-7-19-24-25-20(28(19)26-18)14-8-10-27(11-9-14)13-15-12-16(22)4-5-17(15)23/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyLUAXTDIBYSUKFC-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.08
Rot. Bonds3

About 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126910569) has the molecular formula C21H25F2N5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126910569
Molecular FormulaC21H25F2N5
Molecular Weight385.46 g/mol
Exact Mass385.21
IUPAC Name6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)(C)c1ccc2nnc(C3CCN(Cc4cc(F)ccc4F)CC3)n2n1
InChIInChI=1S/C21H25F2N5/c1-21(2,3)18-6-7-19-24-25-20(28(19)26-18)14-8-10-27(11-9-14)13-15-12-16(22)4-5-17(15)23/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyLUAXTDIBYSUKFC-UHFFFAOYSA-N
XLogP4.08
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126910725
6-tert-butyl-3-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910564
6-tert-butyl-3-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910669
4-[[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126910675
6-tert-butyl-3-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910639
3-[[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole
CID 126910718
6-tert-butyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910574
6-tert-butyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910582
6-tert-butyl-3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910547
3-[2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-6-methylpyrimidin-4-one
CID 126910659
1-[2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]azepan-2-one
CID 126910752
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 126921774

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126910569) is 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)(C)c1ccc2nnc(C3CCN(Cc4cc(F)ccc4F)CC3)n2n1.
What is the InChIKey of 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LUAXTDIBYSUKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5/c1-21(2,3)18-6-7-19-24-25-20(28(19)26-18)14-8-10-27(11-9-14)13-15-12-16(22)4-5-17(15)23/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 385.46 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126910569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).