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

C12H14F3N5 — CID 67339508

IUPAC6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)Cc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C12H14F3N5/c13-12(14,15)8-11-17-16-9-4-5-10(18-20(9)11)19-6-2-1-3-7-19/h4-5H,1-3,6-8H2
InChIKeyDGPAPWWMHJGLFZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.22
Rot. Bonds2

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

6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 67339508) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID67339508
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)Cc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C12H14F3N5/c13-12(14,15)8-11-17-16-9-4-5-10(18-20(9)11)19-6-2-1-3-7-19/h4-5H,1-3,6-8H2
InChIKeyDGPAPWWMHJGLFZ-UHFFFAOYSA-N
XLogP2.22
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
N-(4-fluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904008
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-propylpropanamide
CID 46275085
3-tert-butyl-6-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133489615
(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 13134095
3-(2-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 47072263
2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
CID 121181805
3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 29131696
3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 674115
N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904047
(3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
CID 129417899
N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
CID 121181824

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 67339508) is 6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)Cc1nnc2ccc(N3CCCCC3)nn12.
What is the InChIKey of 6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DGPAPWWMHJGLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c13-12(14,15)8-11-17-16-9-4-5-10(18-20(9)11)19-6-2-1-3-7-19/h4-5H,1-3,6-8H2.
What are the key properties of 6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 285.27 g/mol, XLogP of 2.22, 2 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-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 67339508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).