3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine

C14H16N2O — CID 56710291

IUPAC3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine
SMILESCOc1c(C)cc(-c2ccc(C)nn2)cc1C
InChIInChI=1S/C14H16N2O/c1-9-7-12(8-10(2)14(9)17-4)13-6-5-11(3)15-16-13/h5-8H,1-4H3
InChIKeyGWBKKDZOMQTTDX-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.08
Rot. Bonds2

About 3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine

3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine (PubChem CID 56710291) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine
PubChem CID56710291
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine
SMILESCOc1c(C)cc(-c2ccc(C)nn2)cc1C
InChIInChI=1S/C14H16N2O/c1-9-7-12(8-10(2)14(9)17-4)13-6-5-11(3)15-16-13/h5-8H,1-4H3
InChIKeyGWBKKDZOMQTTDX-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine?
The IUPAC name of 3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine (CID 56710291) is 3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine.
What is the SMILES notation for 3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine?
The canonical SMILES for 3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine is COc1c(C)cc(-c2ccc(C)nn2)cc1C.
What is the InChIKey of 3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine?
The InChIKey is GWBKKDZOMQTTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-7-12(8-10(2)14(9)17-4)13-6-5-11(3)15-16-13/h5-8H,1-4H3.
What are the key properties of 3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine?
3-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridazine 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-methoxy-3,5-dimethylphenyl)-6-methylpyridazine is sourced from PubChem (CID 56710291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).