3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine

C16H19ClN2O — CID 107664592

IUPAC3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine
SMILESCCC(C)c1ccc(Oc2nnc(Cl)c(C)c2C)cc1
InChIInChI=1S/C16H19ClN2O/c1-5-10(2)13-6-8-14(9-7-13)20-16-12(4)11(3)15(17)18-19-16/h6-10H,5H2,1-4H3
InChIKeyKDKDGWGYBFHPDB-UHFFFAOYSA-N
MW290.79 g/mol
LogP5.05
Rot. Bonds4

About 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine

3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine (PubChem CID 107664592) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine
PubChem CID107664592
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine
SMILESCCC(C)c1ccc(Oc2nnc(Cl)c(C)c2C)cc1
InChIInChI=1S/C16H19ClN2O/c1-5-10(2)13-6-8-14(9-7-13)20-16-12(4)11(3)15(17)18-19-16/h6-10H,5H2,1-4H3
InChIKeyKDKDGWGYBFHPDB-UHFFFAOYSA-N
XLogP5.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.79
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(4-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271914
3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine
CID 55168912
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine
CID 115492558
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 107669579
3-chloro-6-(3,5-dimethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271701
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 107669596
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
3-chloro-6-(2-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271999
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
CID 107663693

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine?
The IUPAC name of 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine (CID 107664592) is 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine is CCC(C)c1ccc(Oc2nnc(Cl)c(C)c2C)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine?
The InChIKey is KDKDGWGYBFHPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-5-10(2)13-6-8-14(9-7-13)20-16-12(4)11(3)15(17)18-19-16/h6-10H,5H2,1-4H3.
What are the key properties of 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine?
3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine has a molecular weight of 290.79 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine is sourced from PubChem (CID 107664592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).