4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine

C14H16N2O — CID 135234572

IUPAC4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine
SMILESCCOc1ccc(-c2cnncc2C)c(C)c1
InChIInChI=1S/C14H16N2O/c1-4-17-12-5-6-13(10(2)7-12)14-9-16-15-8-11(14)3/h5-9H,4H2,1-3H3
InChIKeyKEVAQPLQJXWIHG-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.16
Rot. Bonds3

About 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine

4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine (PubChem CID 135234572) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine.

Molecular Properties

Compound Name4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine
PubChem CID135234572
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine
SMILESCCOc1ccc(-c2cnncc2C)c(C)c1
InChIInChI=1S/C14H16N2O/c1-4-17-12-5-6-13(10(2)7-12)14-9-16-15-8-11(14)3/h5-9H,4H2,1-3H3
InChIKeyKEVAQPLQJXWIHG-UHFFFAOYSA-N
XLogP3.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridazine
CID 118445654
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
CID 53223705
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one
CID 53217931
5-(4-ethoxy-2-methylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223715
(4-ethoxy-2-methylphenyl)methanethiol
CID 83798448
5-ethoxy-2-methylpyridine
CID 573198
5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine
CID 144998407
6-ethoxy-1-methyl-3,4-dihydroisoquinoline
CID 3029059
4-ethoxy-2-methyl-1-[(Z)-pent-3-enyl]benzene
CID 83936665
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
2,6-diethoxyanthracene
CID 12651989

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine?
The IUPAC name of 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine (CID 135234572) is 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine.
What is the SMILES notation for 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine?
The canonical SMILES for 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine is CCOc1ccc(-c2cnncc2C)c(C)c1.
What is the InChIKey of 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine?
The InChIKey is KEVAQPLQJXWIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-17-12-5-6-13(10(2)7-12)14-9-16-15-8-11(14)3/h5-9H,4H2,1-3H3.
What are the key properties of 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine?
4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine has a molecular weight of 228.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2-methylphenyl)-5-methylpyridazine is sourced from PubChem (CID 135234572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).