5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile

C16H17FN4 — CID 80508640

IUPAC5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2cccc(F)c2)c(C#N)c1CC
InChIInChI=1S/C16H17FN4/c1-3-13-14(9-18)16(21-20-15(13)4-2)19-10-11-6-5-7-12(17)8-11/h5-8H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyXZGWZHVKOSYIJT-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.22
Rot. Bonds5

About 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 80508640) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
PubChem CID80508640
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2cccc(F)c2)c(C#N)c1CC
InChIInChI=1S/C16H17FN4/c1-3-13-14(9-18)16(21-20-15(13)4-2)19-10-11-6-5-7-12(17)8-11/h5-8H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyXZGWZHVKOSYIJT-UHFFFAOYSA-N
XLogP3.22
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethoxy-4-pyridinyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133374052
5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile
CID 80509551
5,6-diethyl-3-[(2-hydroxy-3-methoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 133361154
5,6-diethyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]pyridazine-4-carbonitrile
CID 91644474
3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133360711
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
CID 133375206
5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile
CID 103757119
3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133373058
3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133360889
3-(4-bromo-2-fluoroanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508420

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile (CID 80508640) is 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile is CCc1nnc(NCc2cccc(F)c2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is XZGWZHVKOSYIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-3-13-14(9-18)16(21-20-15(13)4-2)19-10-11-6-5-7-12(17)8-11/h5-8H,3-4,10H2,1-2H3,(H,19,21).
What are the key properties of 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 284.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80508640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).