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

C13H19N3OS — CID 84586929

IUPAC3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCOCCSc1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C13H19N3OS/c1-4-10-11(9-14)13(16-15-12(10)5-2)18-8-7-17-6-3/h4-8H2,1-3H3
InChIKeySRZDCYZCLYBHGK-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.60
Rot. Bonds7

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

3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 84586929) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID84586929
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCOCCSc1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C13H19N3OS/c1-4-10-11(9-14)13(16-15-12(10)5-2)18-8-7-17-6-3/h4-8H2,1-3H3
InChIKeySRZDCYZCLYBHGK-UHFFFAOYSA-N
XLogP2.60
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile
CID 80515973
3-(3-chloro-2-methylpropyl)sulfanyl-5,6-diethylpyridazine-4-carbonitrile
CID 80514725
methyl 2-(4-cyano-5,6-diethylpyridazin-3-yl)sulfanylpropanoate
CID 133373419
5,6-diethyl-3-(4-hydroxyphenyl)sulfanylpyridazine-4-carbonitrile
CID 80501751
3-(2,5-difluorophenyl)sulfanyl-5,6-diethylpyridazine-4-carbonitrile
CID 80512698
3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80510272
5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
CID 80510829
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile
CID 84586916
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
CID 80510168
3-(3,5-dimethylphenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80506112
3-azido-5,6-diethylpyridazine-4-carbonitrile
CID 80583621

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile (CID 84586929) is 3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile is CCOCCSc1nnc(CC)c(CC)c1C#N.
What is the InChIKey of 3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is SRZDCYZCLYBHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-4-10-11(9-14)13(16-15-12(10)5-2)18-8-7-17-6-3/h4-8H2,1-3H3.
What are the key properties of 3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile?
3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 265.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 84586929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).