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

C15H15N3O — CID 60725799

IUPAC3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1ccc(Oc2nnc(C)c(C)c2C#N)cc1C
InChIInChI=1S/C15H15N3O/c1-9-5-6-13(7-10(9)2)19-15-14(8-16)11(3)12(4)17-18-15/h5-7H,1-4H3
InChIKeyOMLIQCCFTGLGCR-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.37
Rot. Bonds2

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

3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 60725799) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID60725799
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1ccc(Oc2nnc(C)c(C)c2C#N)cc1C
InChIInChI=1S/C15H15N3O/c1-9-5-6-13(7-10(9)2)19-15-14(8-16)11(3)12(4)17-18-15/h5-7H,1-4H3
InChIKeyOMLIQCCFTGLGCR-UHFFFAOYSA-N
XLogP3.37
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 78952723
3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535484
3-(3,5-dichlorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535943
5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile
CID 102846558
3-(4-cyclopropylsulfonylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 167852305
4-(4-cyano-5,6-dimethylpyridazin-3-yl)oxy-3-methylbenzoic acid
CID 107672819
5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile
CID 81342312
3-(2-tert-butylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097659
3-(4-bromo-2-nitrophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 65430168
2-(3,4-dimethylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876010
3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514507
2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175544

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile (CID 60725799) is 3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile is Cc1ccc(Oc2nnc(C)c(C)c2C#N)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is OMLIQCCFTGLGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-5-6-13(7-10(9)2)19-15-14(8-16)11(3)12(4)17-18-15/h5-7H,1-4H3.
What are the key properties of 3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 60725799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).