1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol

C15H20N2OS — CID 105087670

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)nnc2CC)s1
InChIInChI=1S/C15H20N2OS/c1-4-11-6-7-12(19-11)9-15(18)13-8-10(3)16-17-14(13)5-2/h6-8,15,18H,4-5,9H2,1-3H3
InChIKeyKOBZMNVWZKEAQN-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.25
Rot. Bonds5

About 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol

1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 105087670) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID105087670
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)nnc2CC)s1
InChIInChI=1S/C15H20N2OS/c1-4-11-6-7-12(19-11)9-15(18)13-8-10(3)16-17-14(13)5-2/h6-8,15,18H,4-5,9H2,1-3H3
InChIKeyKOBZMNVWZKEAQN-UHFFFAOYSA-N
XLogP3.25
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.25
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-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol (CID 105087670) is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(CC(O)c2cc(C)nnc2CC)s1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is KOBZMNVWZKEAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-11-6-7-12(19-11)9-15(18)13-8-10(3)16-17-14(13)5-2/h6-8,15,18H,4-5,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 276.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 105087670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).