1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol

C12H20N2O — CID 105114625

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1cc(C)nnc1C
InChIInChI=1S/C12H20N2O/c1-5-10(6-2)12(15)11-7-8(3)13-14-9(11)4/h7,10,12,15H,5-6H2,1-4H3
InChIKeyWRKALOXADUKJNZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.56
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol

1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol (PubChem CID 105114625) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol
PubChem CID105114625
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1cc(C)nnc1C
InChIInChI=1S/C12H20N2O/c1-5-10(6-2)12(15)11-7-8(3)13-14-9(11)4/h7,10,12,15H,5-6H2,1-4H3
InChIKeyWRKALOXADUKJNZ-UHFFFAOYSA-N
XLogP2.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol
CID 105114654
1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
[1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutyl]hydrazine
CID 105324133
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol
CID 105114692
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
CID 105080205
1-(3,6-dimethylpyridazin-4-yl)propylhydrazine
CID 105281942
1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol
CID 105082424
1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163793
[1-(3,6-dimethylpyridazin-4-yl)-2-methylbutyl]hydrazine
CID 105325825
1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105082248
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105103223

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol (CID 105114625) is 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol is CCC(CC)C(O)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol?
The InChIKey is WRKALOXADUKJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-10(6-2)12(15)11-7-8(3)13-14-9(11)4/h7,10,12,15H,5-6H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol?
1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol is sourced from PubChem (CID 105114625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).