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

C15H16N4 — CID 31535423

IUPAC3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1cccc(Nc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C15H16N4/c1-4-12-6-5-7-13(8-12)17-15-14(9-16)10(2)11(3)18-19-15/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyWAORYPSWUMNDJT-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.27
Rot. Bonds3

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

3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 31535423) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID31535423
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1cccc(Nc2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C15H16N4/c1-4-12-6-5-7-13(8-12)17-15-14(9-16)10(2)11(3)18-19-15/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyWAORYPSWUMNDJT-UHFFFAOYSA-N
XLogP3.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile (CID 31535423) is 3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile is CCc1cccc(Nc2nnc(C)c(C)c2C#N)c1.
What is the InChIKey of 3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is WAORYPSWUMNDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-4-12-6-5-7-13(8-12)17-15-14(9-16)10(2)11(3)18-19-15/h5-8H,4H2,1-3H3,(H,17,19).
What are the key properties of 3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 31535423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).