2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol

C15H13N3OS — CID 166128071

IUPAC2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc(C3CNC3)sc2nn1
InChIInChI=1S/C15H13N3OS/c19-13-4-2-1-3-11(13)12-5-9-6-14(10-7-16-8-10)20-15(9)18-17-12/h1-6,10,16,19H,7-8H2
InChIKeyGWCUOENRHVFXAB-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.75
Rot. Bonds2

About 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol

2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol (PubChem CID 166128071) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol
PubChem CID166128071
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc(C3CNC3)sc2nn1
InChIInChI=1S/C15H13N3OS/c19-13-4-2-1-3-11(13)12-5-9-6-14(10-7-16-8-10)20-15(9)18-17-12/h1-6,10,16,19H,7-8H2
InChIKeyGWCUOENRHVFXAB-UHFFFAOYSA-N
XLogP2.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol (CID 166128071) is 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol is Oc1ccccc1-c1cc2cc(C3CNC3)sc2nn1.
What is the InChIKey of 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is GWCUOENRHVFXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-13-4-2-1-3-11(13)12-5-9-6-14(10-7-16-8-10)20-15(9)18-17-12/h1-6,10,16,19H,7-8H2.
What are the key properties of 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol?
2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 283.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azetidin-3-yl)thieno[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 166128071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).