1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol

C14H18N2OS — CID 105087633

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)nnc2C)s1
InChIInChI=1S/C14H18N2OS/c1-4-11-5-6-12(18-11)8-14(17)13-7-9(2)15-16-10(13)3/h5-7,14,17H,4,8H2,1-3H3
InChIKeyUBVWHAASTCQCCP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.99
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol

1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 105087633) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID105087633
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)nnc2C)s1
InChIInChI=1S/C14H18N2OS/c1-4-11-5-6-12(18-11)8-14(17)13-7-9(2)15-16-10(13)3/h5-7,14,17H,4,8H2,1-3H3
InChIKeyUBVWHAASTCQCCP-UHFFFAOYSA-N
XLogP2.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.99
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
[4-(6-Methylpyridazin-3-yl)sulfanylphenyl]methanol
CID 104068424
(3-Ethyl-6-methylpyridazin-4-yl)-phenylmethanol
CID 105076359
1-(3-Ethyl-6-methylpyridazin-4-yl)-2-phenylethanol
CID 105076528
1-(3,6-Dimethylpyridazin-4-yl)-3-phenylpropan-1-ol
CID 105078600
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol (CID 105087633) is 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(CC(O)c2cc(C)nnc2C)s1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is UBVWHAASTCQCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-11-5-6-12(18-11)8-14(17)13-7-9(2)15-16-10(13)3/h5-7,14,17H,4,8H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 262.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 105087633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).