3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine

C14H16N2O — CID 169124555

IUPAC3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine
SMILESCOc1ccc(-c2nnc(C)c(C)c2C)cc1
InChIInChI=1S/C14H16N2O/c1-9-10(2)14(16-15-11(9)3)12-5-7-13(17-4)8-6-12/h5-8H,1-4H3
InChIKeyZUMDYBGAGOTANY-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.08
Rot. Bonds2

About 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine

3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine (PubChem CID 169124555) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine
PubChem CID169124555
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine
SMILESCOc1ccc(-c2nnc(C)c(C)c2C)cc1
InChIInChI=1S/C14H16N2O/c1-9-10(2)14(16-15-11(9)3)12-5-7-13(17-4)8-6-12/h5-8H,1-4H3
InChIKeyZUMDYBGAGOTANY-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine
CID 169124247
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
CID 175418792
2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
CID 42918992
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
CID 131953502
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-(4-methoxyphenyl)-6-methylpyridin-3-ol
CID 68887118
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
[4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane
CID 54040837
3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine
CID 18760018

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine?
The IUPAC name of 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine (CID 169124555) is 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine?
The canonical SMILES for 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine is COc1ccc(-c2nnc(C)c(C)c2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine?
The InChIKey is ZUMDYBGAGOTANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-10(2)14(16-15-11(9)3)12-5-7-13(17-4)8-6-12/h5-8H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine?
3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine has a molecular weight of 228.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4,5,6-trimethylpyridazine is sourced from PubChem (CID 169124555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).