1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol

C12H14N2OS — CID 105087142

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol
SMILESCc1cc(C(O)Cc2cccs2)c(C)nn1
InChIInChI=1S/C12H14N2OS/c1-8-6-11(9(2)14-13-8)12(15)7-10-4-3-5-16-10/h3-6,12,15H,7H2,1-2H3
InChIKeyNTWFKLOZMOCPIC-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.43
Rot. Bonds3

About 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol

1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol (PubChem CID 105087142) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol
PubChem CID105087142
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol
SMILESCc1cc(C(O)Cc2cccs2)c(C)nn1
InChIInChI=1S/C12H14N2OS/c1-8-6-11(9(2)14-13-8)12(15)7-10-4-3-5-16-10/h3-6,12,15H,7H2,1-2H3
InChIKeyNTWFKLOZMOCPIC-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.43
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
(6-Methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methanol
CID 103373402
(6-Methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103373441
1-(6-Methoxypyridazin-3-yl)-2-thiophen-3-ylethanol
CID 103373460
1-(6-Methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 103373558
(6-Methoxypyridazin-3-yl)-thiophen-3-ylmethanol
CID 103373654
(6-Methoxypyridazin-3-yl)-(5-methylthiophen-3-yl)methanol
CID 103373711
Pyridazin-4-yl(thiophen-2-yl)methanol
CID 105079898

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol (CID 105087142) is 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol is Cc1cc(C(O)Cc2cccs2)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol?
The InChIKey is NTWFKLOZMOCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-6-11(9(2)14-13-8)12(15)7-10-4-3-5-16-10/h3-6,12,15H,7H2,1-2H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol?
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol has a molecular weight of 234.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 105087142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).