5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile

C16H25N5 — CID 80515689

IUPAC5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCC2CCCNC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5/c1-3-13-14(10-17)16(21-20-15(13)4-2)19-9-7-12-6-5-8-18-11-12/h12,18H,3-9,11H2,1-2H3,(H,19,21)
InChIKeySGBBZKRQLFEIQU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.27
Rot. Bonds6

About 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile (PubChem CID 80515689) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile
PubChem CID80515689
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCCC2CCCNC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5/c1-3-13-14(10-17)16(21-20-15(13)4-2)19-9-7-12-6-5-8-18-11-12/h12,18H,3-9,11H2,1-2H3,(H,19,21)
InChIKeySGBBZKRQLFEIQU-UHFFFAOYSA-N
XLogP2.27
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
CID 80515149
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515330
3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
CID 55247646
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile
CID 80515022
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
CID 115693824
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
CID 115693754
6-ethyl-N-(2-piperidin-3-ylethyl)pyridazin-3-amine
CID 116972209
3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 105417878

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile (CID 80515689) is 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile is CCc1nnc(NCCC2CCCNC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile?
The InChIKey is SGBBZKRQLFEIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-13-14(10-17)16(21-20-15(13)4-2)19-9-7-12-6-5-8-18-11-12/h12,18H,3-9,11H2,1-2H3,(H,19,21).
What are the key properties of 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80515689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).