3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile

C17H19N3O — CID 80506112

IUPAC3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Oc2cc(C)cc(C)c2)c(C#N)c1CC
InChIInChI=1S/C17H19N3O/c1-5-14-15(10-18)17(20-19-16(14)6-2)21-13-8-11(3)7-12(4)9-13/h7-9H,5-6H2,1-4H3
InChIKeyLJHCHSNDYVIQIZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.88
Rot. Bonds4

About 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile

3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80506112) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80506112
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Oc2cc(C)cc(C)c2)c(C#N)c1CC
InChIInChI=1S/C17H19N3O/c1-5-14-15(10-18)17(20-19-16(14)6-2)21-13-8-11(3)7-12(4)9-13/h7-9H,5-6H2,1-4H3
InChIKeyLJHCHSNDYVIQIZ-UHFFFAOYSA-N
XLogP3.88
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80514538
5,6-diethyl-3-(4-ethylphenoxy)pyridazine-4-carbonitrile
CID 80506109
5,6-diethyl-3-pyridin-3-yloxypyridazine-4-carbonitrile
CID 75539617
3-(3-amino-2-methylphenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80513157
5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
CID 80510829
5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile
CID 80510752
5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile
CID 80505750
5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
CID 80510168
3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80516444
N-[4-(4-cyano-5,6-diethylpyridazin-3-yl)oxyphenyl]thiophene-3-carboxamide
CID 133378964
5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
CID 80510909
5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516280

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile (CID 80506112) is 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(Oc2cc(C)cc(C)c2)c(C#N)c1CC.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is LJHCHSNDYVIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-5-14-15(10-18)17(20-19-16(14)6-2)21-13-8-11(3)7-12(4)9-13/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile?
3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80506112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).