6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

C15H9F2N5 — CID 122662910

IUPAC6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
SMILESFC(F)(c1ccc2ncccc2c1)c1nnc2cccnn12
InChIInChI=1S/C15H9F2N5/c16-15(17,14-21-20-13-4-2-8-19-22(13)14)11-5-6-12-10(9-11)3-1-7-18-12/h1-9H
InChIKeyQWMPOTSUFACDRU-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.81
Rot. Bonds2

About 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (PubChem CID 122662910) has the molecular formula C15H9F2N5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
PubChem CID122662910
Molecular FormulaC15H9F2N5
Molecular Weight297.27 g/mol
Exact Mass297.08
IUPAC Name6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
SMILESFC(F)(c1ccc2ncccc2c1)c1nnc2cccnn12
InChIInChI=1S/C15H9F2N5/c16-15(17,14-21-20-13-4-2-8-19-22(13)14)11-5-6-12-10(9-11)3-1-7-18-12/h1-9H
InChIKeyQWMPOTSUFACDRU-UHFFFAOYSA-N
XLogP2.81
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (CID 122662910) is 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is FC(F)(c1ccc2ncccc2c1)c1nnc2cccnn12.
What is the InChIKey of 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The InChIKey is QWMPOTSUFACDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5/c16-15(17,14-21-20-13-4-2-8-19-22(13)14)11-5-6-12-10(9-11)3-1-7-18-12/h1-9H.
What are the key properties of 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline has a molecular weight of 297.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is sourced from PubChem (CID 122662910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).