3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile

C17H24N4 — CID 80504517

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCCC2=CCCCC2)c(C#N)c1CC
InChIInChI=1S/C17H24N4/c1-3-14-15(12-18)17(21-20-16(14)4-2)19-11-10-13-8-6-5-7-9-13/h8H,3-7,9-11H2,1-2H3,(H,19,21)
InChIKeyIEMYTOOSDFATGG-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.78
Rot. Bonds6

About 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile

3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80504517) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80504517
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCCC2=CCCCC2)c(C#N)c1CC
InChIInChI=1S/C17H24N4/c1-3-14-15(12-18)17(21-20-16(14)4-2)19-11-10-13-8-6-5-7-9-13/h8H,3-7,9-11H2,1-2H3,(H,19,21)
InChIKeyIEMYTOOSDFATGG-UHFFFAOYSA-N
XLogP3.78
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133360889
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile
CID 114694557
3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 55110800
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
CID 80510567
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
5,6-diethyl-3-(3-methylsulfanylbutylamino)pyridazine-4-carbonitrile
CID 115693754
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
CID 106236890
3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile (CID 80504517) is 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NCCC2=CCCCC2)c(C#N)c1CC.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is IEMYTOOSDFATGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-14-15(12-18)17(21-20-16(14)4-2)19-11-10-13-8-6-5-7-9-13/h8H,3-7,9-11H2,1-2H3,(H,19,21).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile?
3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 284.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80504517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).