1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol

C13H16N2OS — CID 105087154

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cccs1
InChIInChI=1S/C13H16N2OS/c1-3-12-11(7-9(2)14-15-12)13(16)8-10-5-4-6-17-10/h4-7,13,16H,3,8H2,1-2H3
InChIKeyGNWYXUWFXWXZNU-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.69
Rot. Bonds4

About 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol

1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol (PubChem CID 105087154) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol
PubChem CID105087154
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cccs1
InChIInChI=1S/C13H16N2OS/c1-3-12-11(7-9(2)14-15-12)13(16)8-10-5-4-6-17-10/h4-7,13,16H,3,8H2,1-2H3
InChIKeyGNWYXUWFXWXZNU-UHFFFAOYSA-N
XLogP2.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Phenyl-1-(6-thiophen-2-ylpyridazin-3-yl)heptan-1-ol
CID 58366224
2-(4-Methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol
CID 169224849
(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
1-(6-Methoxypyridazin-3-yl)-2-thiophen-3-ylethanol
CID 103373460
1-(6-Methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 103373558
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-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105083267
2-(1-Benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105083291

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol (CID 105087154) is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol is CCc1nnc(C)cc1C(O)Cc1cccs1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol?
The InChIKey is GNWYXUWFXWXZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-12-11(7-9(2)14-15-12)13(16)8-10-5-4-6-17-10/h4-7,13,16H,3,8H2,1-2H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol?
1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol has a molecular weight of 248.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 105087154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).