1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol

C14H18N2OS — CID 105099329

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESCCc1nnc(C)cc1C(O)CCc1cccs1
InChIInChI=1S/C14H18N2OS/c1-3-13-12(9-10(2)15-16-13)14(17)7-6-11-5-4-8-18-11/h4-5,8-9,14,17H,3,6-7H2,1-2H3
InChIKeyVFSSJBOVWCIYKW-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.08
Rot. Bonds5

About 1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol

1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 105099329) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID105099329
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESCCc1nnc(C)cc1C(O)CCc1cccs1
InChIInChI=1S/C14H18N2OS/c1-3-13-12(9-10(2)15-16-13)14(17)7-6-11-5-4-8-18-11/h4-5,8-9,14,17H,3,6-7H2,1-2H3
InChIKeyVFSSJBOVWCIYKW-UHFFFAOYSA-N
XLogP3.08
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
CID 105077949
2-ethoxy-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105111769
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150040
1-(5-methyl-3-pyridinyl)-3-thiophen-2-ylpropan-1-ol
CID 105099292
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol
CID 105111921
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65150953
1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol
CID 105094222
(3-ethyl-6-methylpyridazin-4-yl)-(furan-3-yl)methanol
CID 105097197
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol (CID 105099329) is 1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol is CCc1nnc(C)cc1C(O)CCc1cccs1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is VFSSJBOVWCIYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-13-12(9-10(2)15-16-13)14(17)7-6-11-5-4-8-18-11/h4-5,8-9,14,17H,3,6-7H2,1-2H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol?
1-(3-ethyl-6-methylpyridazin-4-yl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 3.08, 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)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 105099329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).