(3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol

C12H14N2OS — CID 102842472

IUPAC(3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccsc2C)c(C)nn1
InChIInChI=1S/C12H14N2OS/c1-7-6-11(8(2)14-13-7)12(15)10-4-5-16-9(10)3/h4-6,12,15H,1-3H3
InChIKeyACSJOIKFYQVKHS-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.55
Rot. Bonds2

About (3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol

(3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol (PubChem CID 102842472) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
PubChem CID102842472
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccsc2C)c(C)nn1
InChIInChI=1S/C12H14N2OS/c1-7-6-11(8(2)14-13-7)12(15)10-4-5-16-9(10)3/h4-6,12,15H,1-3H3
InChIKeyACSJOIKFYQVKHS-UHFFFAOYSA-N
XLogP2.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.55
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
(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
(3,6-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-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105083267

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol (CID 102842472) is (3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol is Cc1cc(C(O)c2ccsc2C)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is ACSJOIKFYQVKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7-6-11(8(2)14-13-7)12(15)10-4-5-16-9(10)3/h4-6,12,15H,1-3H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol?
(3,6-dimethylpyridazin-4-yl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 234.32 g/mol, XLogP of 2.55, 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)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102842472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).