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

C12H14N2OS — CID 105089473

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
SMILESCc1cc(C(O)Cc2ccsc2)c(C)nn1
InChIInChI=1S/C12H14N2OS/c1-8-5-11(9(2)14-13-8)12(15)6-10-3-4-16-7-10/h3-5,7,12,15H,6H2,1-2H3
InChIKeyKGWCNUFEEPDYSH-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.43
Rot. Bonds3

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

1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol (PubChem CID 105089473) 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-3-ylethanol.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
PubChem CID105089473
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
SMILESCc1cc(C(O)Cc2ccsc2)c(C)nn1
InChIInChI=1S/C12H14N2OS/c1-8-5-11(9(2)14-13-8)12(15)6-10-3-4-16-7-10/h3-5,7,12,15H,6H2,1-2H3
InChIKeyKGWCNUFEEPDYSH-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

1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
CID 105080205
2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105133084
1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
CID 63016718
1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol
CID 113396557
2-(3-chloro-4-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 103043689
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105153970
2-(2-chloro-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 102623179
1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol
CID 114822893
1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol
CID 105082424
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
CID 105102712

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol (CID 105089473) is 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol is Cc1cc(C(O)Cc2ccsc2)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol?
The InChIKey is KGWCNUFEEPDYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-5-11(9(2)14-13-8)12(15)6-10-3-4-16-7-10/h3-5,7,12,15H,6H2,1-2H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol?
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-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-3-ylethanol is sourced from PubChem (CID 105089473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).