(3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol

C12H14N2OS — CID 105079947

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol
SMILESCCc1nnc(C)cc1C(O)c1cccs1
InChIInChI=1S/C12H14N2OS/c1-3-10-9(7-8(2)13-14-10)12(15)11-5-4-6-16-11/h4-7,12,15H,3H2,1-2H3
InChIKeyIAXPMAVFAJTZAG-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.49
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol

(3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol (PubChem CID 105079947) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol
PubChem CID105079947
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol
SMILESCCc1nnc(C)cc1C(O)c1cccs1
InChIInChI=1S/C12H14N2OS/c1-3-10-9(7-8(2)13-14-10)12(15)11-5-4-6-16-11/h4-7,12,15H,3H2,1-2H3
InChIKeyIAXPMAVFAJTZAG-UHFFFAOYSA-N
XLogP2.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.49
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
(3,6-Dimethylpyridazin-4-yl)-thiophen-2-ylmethanol
CID 105079918
2-(1-Benzothiophen-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105083267

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol (CID 105079947) is (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol is CCc1nnc(C)cc1C(O)c1cccs1.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol?
The InChIKey is IAXPMAVFAJTZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-10-9(7-8(2)13-14-10)12(15)11-5-4-6-16-11/h4-7,12,15H,3H2,1-2H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol?
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol has a molecular weight of 234.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 105079947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).