1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol

C12H14N2O2S — CID 103373558

IUPAC1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCOc1ccc(C(O)CCc2ccsc2)nn1
InChIInChI=1S/C12H14N2O2S/c1-16-12-5-3-10(13-14-12)11(15)4-2-9-6-7-17-8-9/h3,5-8,11,15H,2,4H2,1H3
InChIKeyLNBBDSLKFOLQLL-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.21
Rot. Bonds5

About 1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol

1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 103373558) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID103373558
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCOc1ccc(C(O)CCc2ccsc2)nn1
InChIInChI=1S/C12H14N2O2S/c1-16-12-5-3-10(13-14-12)11(15)4-2-9-6-7-17-8-9/h3,5-8,11,15H,2,4H2,1H3
InChIKeyLNBBDSLKFOLQLL-UHFFFAOYSA-N
XLogP2.21
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.21
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)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol (CID 103373558) is 1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol is COc1ccc(C(O)CCc2ccsc2)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is LNBBDSLKFOLQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-12-5-3-10(13-14-12)11(15)4-2-9-6-7-17-8-9/h3,5-8,11,15H,2,4H2,1H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol?
1-(6-methoxypyridazin-3-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 250.32 g/mol, XLogP of 2.21, 5 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)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 103373558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).