3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol

C18H16N2O3S — CID 176700302

IUPAC3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol
SMILESCOCCOc1ccccc1-c1nnc(C#CCO)c2ccsc12
InChIInChI=1S/C18H16N2O3S/c1-22-10-11-23-16-7-3-2-5-14(16)17-18-13(8-12-24-18)15(19-20-17)6-4-9-21/h2-3,5,7-8,12,21H,9-11H2,1H3
InChIKeyYZCUCFWIDPCRTK-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.73
Rot. Bonds5

About 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol

3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol (PubChem CID 176700302) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol
PubChem CID176700302
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol
SMILESCOCCOc1ccccc1-c1nnc(C#CCO)c2ccsc12
InChIInChI=1S/C18H16N2O3S/c1-22-10-11-23-16-7-3-2-5-14(16)17-18-13(8-12-24-18)15(19-20-17)6-4-9-21/h2-3,5,7-8,12,21H,9-11H2,1H3
InChIKeyYZCUCFWIDPCRTK-UHFFFAOYSA-N
XLogP2.73
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol (CID 176700302) is 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol is COCCOc1ccccc1-c1nnc(C#CCO)c2ccsc12.
What is the InChIKey of 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol?
The InChIKey is YZCUCFWIDPCRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-10-11-23-16-7-3-2-5-14(16)17-18-13(8-12-24-18)15(19-20-17)6-4-9-21/h2-3,5,7-8,12,21H,9-11H2,1H3.
What are the key properties of 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol?
3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol has a molecular weight of 340.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]prop-2-yn-1-ol is sourced from PubChem (CID 176700302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).