2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol

C12H14N2OS — CID 105087604

IUPAC2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol
SMILESCCc1ccc(CC(O)c2ccnnc2)s1
InChIInChI=1S/C12H14N2OS/c1-2-10-3-4-11(16-10)7-12(15)9-5-6-13-14-8-9/h3-6,8,12,15H,2,7H2,1H3
InChIKeyPITVJPSBIOBYEL-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.38
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol

2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol (PubChem CID 105087604) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol
PubChem CID105087604
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol
SMILESCCc1ccc(CC(O)c2ccnnc2)s1
InChIInChI=1S/C12H14N2OS/c1-2-10-3-4-11(16-10)7-12(15)9-5-6-13-14-8-9/h3-6,8,12,15H,2,7H2,1H3
InChIKeyPITVJPSBIOBYEL-UHFFFAOYSA-N
XLogP2.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.38
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
(4-Pyridazin-3-ylsulfanylphenyl)methanol
CID 104068237
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-Pyridazin-4-yl-2-thiophen-2-ylethanol
CID 105087131
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol (CID 105087604) is 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol is CCc1ccc(CC(O)c2ccnnc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol?
The InChIKey is PITVJPSBIOBYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-10-3-4-11(16-10)7-12(15)9-5-6-13-14-8-9/h3-6,8,12,15H,2,7H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol?
2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol has a molecular weight of 234.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 105087604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).