3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile

C17H26N4 — CID 80504469

IUPAC3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCCC2CCCCC2)c(C#N)c1CC
InChIInChI=1S/C17H26N4/c1-3-14-15(12-18)17(21-20-16(14)4-2)19-11-10-13-8-6-5-7-9-13/h13H,3-11H2,1-2H3,(H,19,21)
InChIKeyMEEZYXLDEJUWMN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.86
Rot. Bonds6

About 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile

3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80504469) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80504469
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCCC2CCCCC2)c(C#N)c1CC
InChIInChI=1S/C17H26N4/c1-3-14-15(12-18)17(21-20-16(14)4-2)19-11-10-13-8-6-5-7-9-13/h13H,3-11H2,1-2H3,(H,19,21)
InChIKeyMEEZYXLDEJUWMN-UHFFFAOYSA-N
XLogP3.86
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile (CID 80504469) is 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NCCC2CCCCC2)c(C#N)c1CC.
What is the InChIKey of 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is MEEZYXLDEJUWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-14-15(12-18)17(21-20-16(14)4-2)19-11-10-13-8-6-5-7-9-13/h13H,3-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile?
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80504469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).