3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile

C15H15N3O2 — CID 31535484

IUPAC3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCOc1ccc(Oc2nnc(C)c(C)c2C#N)cc1
InChIInChI=1S/C15H15N3O2/c1-4-19-12-5-7-13(8-6-12)20-15-14(9-16)10(2)11(3)17-18-15/h5-8H,4H2,1-3H3
InChIKeyBWSFGAWIHMRFBK-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.16
Rot. Bonds4

About 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile

3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 31535484) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID31535484
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCOc1ccc(Oc2nnc(C)c(C)c2C#N)cc1
InChIInChI=1S/C15H15N3O2/c1-4-19-12-5-7-13(8-6-12)20-15-14(9-16)10(2)11(3)17-18-15/h5-8H,4H2,1-3H3
InChIKeyBWSFGAWIHMRFBK-UHFFFAOYSA-N
XLogP3.16
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 60725799
3-(3,5-dichlorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535943
3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 78952723
3-(4-cyclopropylsulfonylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 167852305
5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile
CID 102846558
3-chloro-6-(4-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271914
3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514507
3-(2-tert-butylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097659
3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile
CID 61098653
5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile
CID 81342312
5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile
CID 80506109
3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80514538

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile (CID 31535484) is 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile is CCOc1ccc(Oc2nnc(C)c(C)c2C#N)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is BWSFGAWIHMRFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-4-19-12-5-7-13(8-6-12)20-15-14(9-16)10(2)11(3)17-18-15/h5-8H,4H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 31535484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).