2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol

C17H17N3OS — CID 166128202

IUPAC2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1cc2cc(C3CCNCC3)sc2nn1
InChIInChI=1S/C17H17N3OS/c21-15-4-2-1-3-13(15)14-9-12-10-16(22-17(12)20-19-14)11-5-7-18-8-6-11/h1-4,9-11,18,21H,5-8H2
InChIKeyAECOEYLOLCLFQB-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.53
Rot. Bonds2

About 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol

2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol (PubChem CID 166128202) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol
PubChem CID166128202
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1cc2cc(C3CCNCC3)sc2nn1
InChIInChI=1S/C17H17N3OS/c21-15-4-2-1-3-13(15)14-9-12-10-16(22-17(12)20-19-14)11-5-7-18-8-6-11/h1-4,9-11,18,21H,5-8H2
InChIKeyAECOEYLOLCLFQB-UHFFFAOYSA-N
XLogP3.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The IUPAC name of 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol (CID 166128202) is 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol.
What is the SMILES notation for 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The canonical SMILES for 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol is Oc1ccccc1-c1cc2cc(C3CCNCC3)sc2nn1.
What is the InChIKey of 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
The InChIKey is AECOEYLOLCLFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-15-4-2-1-3-13(15)14-9-12-10-16(22-17(12)20-19-14)11-5-7-18-8-6-11/h1-4,9-11,18,21H,5-8H2.
What are the key properties of 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol?
2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol has a molecular weight of 311.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperidin-4-ylthieno[2,3-c]pyridazin-3-yl)phenol is sourced from PubChem (CID 166128202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).