1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol

C11H12N2O2S — CID 103373460

IUPAC1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol
SMILESCOc1ccc(C(O)Cc2ccsc2)nn1
InChIInChI=1S/C11H12N2O2S/c1-15-11-3-2-9(12-13-11)10(14)6-8-4-5-16-7-8/h2-5,7,10,14H,6H2,1H3
InChIKeyXJJXXTDZGFTUNQ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.82
Rot. Bonds4

About 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol

1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol (PubChem CID 103373460) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol
PubChem CID103373460
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol
SMILESCOc1ccc(C(O)Cc2ccsc2)nn1
InChIInChI=1S/C11H12N2O2S/c1-15-11-3-2-9(12-13-11)10(14)6-8-4-5-16-7-8/h2-5,7,10,14H,6H2,1H3
InChIKeyXJJXXTDZGFTUNQ-UHFFFAOYSA-N
XLogP1.82
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methoxy-6-(thiophen-2-yl)pyridazine
CID 9990145
(6-Methoxypyridazin-3-yl)-phenylmethanol
CID 10036246
3-Methoxy-6-(thiophen-3-yl)pyridazine
CID 16744458
3-Methoxy-4-methyl-6-thiophen-3-ylpyridazine
CID 20226932
3-(4-Methoxyphenyl)-6-thiophen-3-ylpyridazine
CID 89508741
1-(5,6-Dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56794107
[6-(Thiophen-2-ylmethoxy)pyridazin-3-yl]methanol
CID 61523818
[6-(2-Thiophen-2-ylethoxy)pyridazin-3-yl]methanol
CID 61523939
(2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 95632980
(2S)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 95632981
(6-Methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methanol
CID 103373402
(6-Methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 103373405

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol (CID 103373460) is 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol is COc1ccc(C(O)Cc2ccsc2)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol?
The InChIKey is XJJXXTDZGFTUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-11-3-2-9(12-13-11)10(14)6-8-4-5-16-7-8/h2-5,7,10,14H,6H2,1H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol?
1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol has a molecular weight of 236.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 103373460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).