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

C19H16FN5OS — CID 133363616

IUPAC4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine
SMILESFc1ccccc1-c1nnc2ccc(N3CCOC(c4cccs4)C3)nn12
InChIInChI=1S/C19H16FN5OS/c20-14-5-2-1-4-13(14)19-22-21-17-7-8-18(23-25(17)19)24-9-10-26-15(12-24)16-6-3-11-27-16/h1-8,11,15H,9-10,12H2
InChIKeyQLDNSHASBKGWFD-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.57
Rot. Bonds3

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

4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine (PubChem CID 133363616) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine
PubChem CID133363616
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC Name4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine
SMILESFc1ccccc1-c1nnc2ccc(N3CCOC(c4cccs4)C3)nn12
InChIInChI=1S/C19H16FN5OS/c20-14-5-2-1-4-13(14)19-22-21-17-7-8-18(23-25(17)19)24-9-10-26-15(12-24)16-6-3-11-27-16/h1-8,11,15H,9-10,12H2
InChIKeyQLDNSHASBKGWFD-UHFFFAOYSA-N
XLogP3.57
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine (CID 133363616) is 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine is Fc1ccccc1-c1nnc2ccc(N3CCOC(c4cccs4)C3)nn12.
What is the InChIKey of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine?
The InChIKey is QLDNSHASBKGWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c20-14-5-2-1-4-13(14)19-22-21-17-7-8-18(23-25(17)19)24-9-10-26-15(12-24)16-6-3-11-27-16/h1-8,11,15H,9-10,12H2.
What are the key properties of 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine?
4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine has a molecular weight of 381.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).