1-pyridazin-4-yl-2-thiophen-2-ylethanol

C10H10N2OS — CID 105087131

IUPAC1-pyridazin-4-yl-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1ccnnc1
InChIInChI=1S/C10H10N2OS/c13-10(6-9-2-1-5-14-9)8-3-4-11-12-7-8/h1-5,7,10,13H,6H2
InChIKeyVJIYFUDKSBCUPP-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.81
Rot. Bonds3

About 1-pyridazin-4-yl-2-thiophen-2-ylethanol

1-pyridazin-4-yl-2-thiophen-2-ylethanol (PubChem CID 105087131) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-pyridazin-4-yl-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-pyridazin-4-yl-2-thiophen-2-ylethanol
PubChem CID105087131
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-pyridazin-4-yl-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1ccnnc1
InChIInChI=1S/C10H10N2OS/c13-10(6-9-2-1-5-14-9)8-3-4-11-12-7-8/h1-5,7,10,13H,6H2
InChIKeyVJIYFUDKSBCUPP-UHFFFAOYSA-N
XLogP1.81
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methylthiophen-3-yl)-pyridazin-4-ylmethanol
CID 102842267
(3-Ethyl-6-methylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102842438
(3,6-Dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
CID 102842472
Pyridazin-4-yl(thiophen-2-yl)methanol
CID 105079898
(3,6-Dimethylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079918
(3-Ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079947
2-(1-Benzothiophen-3-yl)-1-pyridazin-4-ylethanol
CID 105083241
1-(3,6-Dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol
CID 105087142
1-(3-Ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol
CID 105087154
2-(5-Bromothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087224
2-(5-Chlorothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087376
2-(5-Ethylthiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087604

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-yl-2-thiophen-2-ylethanol?
The IUPAC name of 1-pyridazin-4-yl-2-thiophen-2-ylethanol (CID 105087131) is 1-pyridazin-4-yl-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-pyridazin-4-yl-2-thiophen-2-ylethanol?
The canonical SMILES for 1-pyridazin-4-yl-2-thiophen-2-ylethanol is OC(Cc1cccs1)c1ccnnc1.
What is the InChIKey of 1-pyridazin-4-yl-2-thiophen-2-ylethanol?
The InChIKey is VJIYFUDKSBCUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-10(6-9-2-1-5-14-9)8-3-4-11-12-7-8/h1-5,7,10,13H,6H2.
What are the key properties of 1-pyridazin-4-yl-2-thiophen-2-ylethanol?
1-pyridazin-4-yl-2-thiophen-2-ylethanol has a molecular weight of 206.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-yl-2-thiophen-2-ylethanol is sourced from PubChem (CID 105087131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).