1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol

C11H12N2OS — CID 105097821

IUPAC1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1ccnnc1
InChIInChI=1S/C11H12N2OS/c14-11(10-3-5-12-13-7-10)2-1-9-4-6-15-8-9/h3-8,11,14H,1-2H2
InChIKeyQXNDMFLYWIPQBN-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.20
Rot. Bonds4

About 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol

1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol (PubChem CID 105097821) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol
PubChem CID105097821
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1ccnnc1
InChIInChI=1S/C11H12N2OS/c14-11(10-3-5-12-13-7-10)2-1-9-4-6-15-8-9/h3-8,11,14H,1-2H2
InChIKeyQXNDMFLYWIPQBN-UHFFFAOYSA-N
XLogP2.20
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
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-pyridazin-4-ylethanol
CID 105083241
1-Pyridazin-4-yl-2-thiophen-2-ylethanol
CID 105087131
1-(3,6-Dimethylpyridazin-4-yl)-2-thiophen-2-ylethanol
CID 105087142
1-(3-Ethyl-6-methylpyridazin-4-yl)-2-thiophen-2-ylethanol
CID 105087154
2-(5-Bromothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087224
2-(5-Chlorothiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087376

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol (CID 105097821) is 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)c1ccnnc1.
What is the InChIKey of 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol?
The InChIKey is QXNDMFLYWIPQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-11(10-3-5-12-13-7-10)2-1-9-4-6-15-8-9/h3-8,11,14H,1-2H2.
What are the key properties of 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol?
1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol has a molecular weight of 220.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-yl-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105097821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).