6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile

C15H15N3O — CID 82444814

IUPAC6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile
SMILESCCn1nc(-c2ccc(C)cc2C)cc(C#N)c1=O
InChIInChI=1S/C15H15N3O/c1-4-18-15(19)12(9-16)8-14(17-18)13-6-5-10(2)7-11(13)3/h5-8H,4H2,1-3H3
InChIKeyXTEUMIKFFLWMOM-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.42
Rot. Bonds2

About 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile

6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile (PubChem CID 82444814) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile
PubChem CID82444814
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile
SMILESCCn1nc(-c2ccc(C)cc2C)cc(C#N)c1=O
InChIInChI=1S/C15H15N3O/c1-4-18-15(19)12(9-16)8-14(17-18)13-6-5-10(2)7-11(13)3/h5-8H,4H2,1-3H3
InChIKeyXTEUMIKFFLWMOM-UHFFFAOYSA-N
XLogP2.42
TPSA58.68 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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile (CID 82444814) is 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile is CCn1nc(-c2ccc(C)cc2C)cc(C#N)c1=O.
What is the InChIKey of 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is XTEUMIKFFLWMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-4-18-15(19)12(9-16)8-14(17-18)13-6-5-10(2)7-11(13)3/h5-8H,4H2,1-3H3.
What are the key properties of 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile?
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 82444814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).