2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile

C15H15N3O — CID 116833228

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile
SMILESCOc1c(C)cc(C(C#N)c2cccnn2)cc1C
InChIInChI=1S/C15H15N3O/c1-10-7-12(8-11(2)15(10)19-3)13(9-16)14-5-4-6-17-18-14/h4-8,13H,1-3H3
InChIKeyYIOFVHQHWMDMFZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile

2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile (PubChem CID 116833228) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile
PubChem CID116833228
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile
SMILESCOc1c(C)cc(C(C#N)c2cccnn2)cc1C
InChIInChI=1S/C15H15N3O/c1-10-7-12(8-11(2)15(10)19-3)13(9-16)14-5-4-6-17-18-14/h4-8,13H,1-3H3
InChIKeyYIOFVHQHWMDMFZ-UHFFFAOYSA-N
XLogP2.76
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833132
2-(4-methoxy-2,3,6-trimethylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833233
2-(5-bromo-2-methylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833214
2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile
CID 12887947
2-(3,4-difluorophenyl)-2-pyridazin-3-ylacetonitrile
CID 116833163
2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116833129
2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile
CID 116833204
2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylacetonitrile
CID 116833207
3-chloro-2-pyridazin-3-ylpropanenitrile
CID 63216468
2-(3-chloro-4-methoxy-5-methylphenyl)propanenitrile
CID 84781012
1-pyridazin-3-ylethanamine
CID 69035378
2-(4-methoxy-2,3,6-trimethylphenyl)-2-pyrimidin-2-ylacetonitrile
CID 116833524

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile (CID 116833228) is 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile is COc1c(C)cc(C(C#N)c2cccnn2)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile?
The InChIKey is YIOFVHQHWMDMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-7-12(8-11(2)15(10)19-3)13(9-16)14-5-4-6-17-18-14/h4-8,13H,1-3H3.
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile?
2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile is sourced from PubChem (CID 116833228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).