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

C15H13F3N6O — CID 72529261

IUPAC6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCC(Oc4ccccn4)C3)nn12
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)14-21-20-11-4-5-12(22-24(11)14)23-8-6-10(9-23)25-13-3-1-2-7-19-13/h1-5,7,10H,6,8-9H2
InChIKeyZGMZWPBMQJKPEI-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.20
Rot. Bonds3

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

6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 72529261) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is 6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID72529261
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCC(Oc4ccccn4)C3)nn12
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)14-21-20-11-4-5-12(22-24(11)14)23-8-6-10(9-23)25-13-3-1-2-7-19-13/h1-5,7,10H,6,8-9H2
InChIKeyZGMZWPBMQJKPEI-UHFFFAOYSA-N
XLogP2.20
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126893382
3-(2-fluorophenyl)-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133446096
pyridin-2-ylmethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate
CID 46562350
6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 146074588
6-[4-(2-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133291892
6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 138989106
6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149727
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine
CID 106950587
6-(4-pyridin-3-ylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149830
N-(1-pyridin-2-ylethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 24625959
6-(3-ethylazetidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149788
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol
CID 67340864

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 72529261) is 6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CCC(Oc4ccccn4)C3)nn12.
What is the InChIKey of 6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZGMZWPBMQJKPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c16-15(17,18)14-21-20-11-4-5-12(22-24(11)14)23-8-6-10(9-23)25-13-3-1-2-7-19-13/h1-5,7,10H,6,8-9H2.
What are the key properties of 6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 350.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 72529261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).