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

C19H13N5OS — CID 25067202

IUPAC4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESc1csc(-c2ccc3nnc(COc4ccnc5ccccc45)n3n2)c1
InChIInChI=1S/C19H13N5OS/c1-2-5-14-13(4-1)16(9-10-20-14)25-12-19-22-21-18-8-7-15(23-24(18)19)17-6-3-11-26-17/h1-11H,12H2
InChIKeyPYYIEFWBPGJGSP-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.98
Rot. Bonds4

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

4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (PubChem CID 25067202) has the molecular formula C19H13N5OS and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.

Molecular Properties

Compound Name4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
PubChem CID25067202
Molecular FormulaC19H13N5OS
Molecular Weight359.41 g/mol
Exact Mass359.08
IUPAC Name4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESc1csc(-c2ccc3nnc(COc4ccnc5ccccc45)n3n2)c1
InChIInChI=1S/C19H13N5OS/c1-2-5-14-13(4-1)16(9-10-20-14)25-12-19-22-21-18-8-7-15(23-24(18)19)17-6-3-11-26-17/h1-11H,12H2
InChIKeyPYYIEFWBPGJGSP-UHFFFAOYSA-N
XLogP3.98
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The IUPAC name of 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (CID 25067202) is 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.
What is the SMILES notation for 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The canonical SMILES for 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is c1csc(-c2ccc3nnc(COc4ccnc5ccccc45)n3n2)c1.
What is the InChIKey of 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The InChIKey is PYYIEFWBPGJGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5OS/c1-2-5-14-13(4-1)16(9-10-20-14)25-12-19-22-21-18-8-7-15(23-24(18)19)17-6-3-11-26-17/h1-11H,12H2.
What are the key properties of 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline has a molecular weight of 359.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is sourced from PubChem (CID 25067202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).