(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol

C11H12N2OS — CID 105079918

IUPAC(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol
SMILESCc1cc(C(O)c2cccs2)c(C)nn1
InChIInChI=1S/C11H12N2OS/c1-7-6-9(8(2)13-12-7)11(14)10-4-3-5-15-10/h3-6,11,14H,1-2H3
InChIKeyQKTGDMGDSQJMIU-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.24
Rot. Bonds2

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

(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol (PubChem CID 105079918) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol
PubChem CID105079918
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol
SMILESCc1cc(C(O)c2cccs2)c(C)nn1
InChIInChI=1S/C11H12N2OS/c1-7-6-9(8(2)13-12-7)11(14)10-4-3-5-15-10/h3-6,11,14H,1-2H3
InChIKeyQKTGDMGDSQJMIU-UHFFFAOYSA-N
XLogP2.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Phenyl-1-(6-thiophen-2-ylpyridazin-3-yl)heptan-1-ol
CID 58366224
2-(4-Methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol
CID 169224849
(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
(6-Methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methanol
CID 103373402
(6-Methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103373441
(6-Methoxypyridazin-3-yl)-thiophen-3-ylmethanol
CID 103373654
(6-Methoxypyridazin-3-yl)-(5-methylthiophen-3-yl)methanol
CID 103373711
Pyridazin-4-yl(thiophen-2-yl)methanol
CID 105079898
(3-Ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079947
2-(1-Benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105083267

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol (CID 105079918) is (3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol is Cc1cc(C(O)c2cccs2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol?
The InChIKey is QKTGDMGDSQJMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-6-9(8(2)13-12-7)11(14)10-4-3-5-15-10/h3-6,11,14H,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol?
(3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol has a molecular weight of 220.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 105079918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).