diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium

C14H20N3OS+ — CID 7688119

IUPACdiethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium
SMILESCC[NH+](CC)CCSc1ccc(-c2ccco2)nn1
InChIInChI=1S/C14H19N3OS/c1-3-17(4-2)9-11-19-14-8-7-12(15-16-14)13-6-5-10-18-13/h5-8,10H,3-4,9,11H2,1-2H3/p+1
InChIKeyQZHVTWYMDHYCNG-UHFFFAOYSA-O
MW278.40 g/mol
LogP1.75
Rot. Bonds7

About diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium

diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium (PubChem CID 7688119) has the molecular formula C14H20N3OS+ and a molecular weight of 278.40 g/mol. Its IUPAC name is diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium
PubChem CID7688119
Molecular FormulaC14H20N3OS+
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Namediethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium
SMILESCC[NH+](CC)CCSc1ccc(-c2ccco2)nn1
InChIInChI=1S/C14H19N3OS/c1-3-17(4-2)9-11-19-14-8-7-12(15-16-14)13-6-5-10-18-13/h5-8,10H,3-4,9,11H2,1-2H3/p+1
InChIKeyQZHVTWYMDHYCNG-UHFFFAOYSA-O
XLogP1.75
TPSA43.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207290
3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
CID 7162432
N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688106
N-(2-chlorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688107
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7688111
4-bromo-6-(furan-2-yl)pyridazin-3-amine
CID 117106412
3-(furan-2-yl)-6-thiophen-2-ylpyridazine
CID 101136658
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
N-(furan-2-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936677
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethylazanium
CID 2428335
3-butylsulfanyl-4-ethyl-5-(furan-2-yl)-1,2,4-triazole
CID 78812877
3-ethylsulfanyl-6-pyridin-4-ylpyridazine
CID 7207301

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium?
The IUPAC name of diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium (CID 7688119) is diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium.
What is the SMILES notation for diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium?
The canonical SMILES for diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium is CC[NH+](CC)CCSc1ccc(-c2ccco2)nn1.
What is the InChIKey of diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium?
The InChIKey is QZHVTWYMDHYCNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N3OS/c1-3-17(4-2)9-11-19-14-8-7-12(15-16-14)13-6-5-10-18-13/h5-8,10H,3-4,9,11H2,1-2H3/p+1.
What are the key properties of diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium?
diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium has a molecular weight of 278.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium is sourced from PubChem (CID 7688119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).