(2-methylthiophen-3-yl)-pyridazin-4-ylmethanol

C10H10N2OS — CID 102842267

IUPAC(2-methylthiophen-3-yl)-pyridazin-4-ylmethanol
SMILESCc1sccc1C(O)c1ccnnc1
InChIInChI=1S/C10H10N2OS/c1-7-9(3-5-14-7)10(13)8-2-4-11-12-6-8/h2-6,10,13H,1H3
InChIKeyFRLBXEKDVYDMBO-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.93
Rot. Bonds2

About (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol

(2-methylthiophen-3-yl)-pyridazin-4-ylmethanol (PubChem CID 102842267) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-pyridazin-4-ylmethanol
PubChem CID102842267
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(2-methylthiophen-3-yl)-pyridazin-4-ylmethanol
SMILESCc1sccc1C(O)c1ccnnc1
InChIInChI=1S/C10H10N2OS/c1-7-9(3-5-14-7)10(13)8-2-4-11-12-6-8/h2-6,10,13H,1H3
InChIKeyFRLBXEKDVYDMBO-UHFFFAOYSA-N
XLogP1.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
2-(5-Ethylthiophen-2-yl)-1-pyridazin-4-ylethanol
CID 105087604

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol?
The IUPAC name of (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol (CID 102842267) is (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol?
The canonical SMILES for (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol is Cc1sccc1C(O)c1ccnnc1.
What is the InChIKey of (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol?
The InChIKey is FRLBXEKDVYDMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-9(3-5-14-7)10(13)8-2-4-11-12-6-8/h2-6,10,13H,1H3.
What are the key properties of (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol?
(2-methylthiophen-3-yl)-pyridazin-4-ylmethanol has a molecular weight of 206.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-pyridazin-4-ylmethanol is sourced from PubChem (CID 102842267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).