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

C13H22N2O — CID 105114654

IUPAC2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol
SMILESCCc1nnc(C)cc1C(O)C(CC)CC
InChIInChI=1S/C13H22N2O/c1-5-10(6-2)13(16)11-8-9(4)14-15-12(11)7-3/h8,10,13,16H,5-7H2,1-4H3
InChIKeyXKIUHKZLKMFALS-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.82
Rot. Bonds5

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

2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol (PubChem CID 105114654) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol
PubChem CID105114654
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol
SMILESCCc1nnc(C)cc1C(O)C(CC)CC
InChIInChI=1S/C13H22N2O/c1-5-10(6-2)13(16)11-8-9(4)14-15-12(11)7-3/h8,10,13,16H,5-7H2,1-4H3
InChIKeyXKIUHKZLKMFALS-UHFFFAOYSA-N
XLogP2.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol
CID 105114625
2-ethoxy-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105111769
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105133302
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
CID 105102712
(3-ethyl-6-methylpyridazin-4-yl)-(furan-3-yl)methanol
CID 105097197
1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol
CID 105111921
(3-ethyl-6-methylpyridazin-4-yl)-pyridin-3-ylmethanol
CID 105079484
1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021
(3,5-dimethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105102866
(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 107516160
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
CID 105077949
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093569

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol?
The IUPAC name of 2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol (CID 105114654) is 2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol?
The canonical SMILES for 2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol is CCc1nnc(C)cc1C(O)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol?
The InChIKey is XKIUHKZLKMFALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-10(6-2)13(16)11-8-9(4)14-15-12(11)7-3/h8,10,13,16H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol?
2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol is sourced from PubChem (CID 105114654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).