6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine

C8H8ClN3O2S — CID 60674953

IUPAC6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine
SMILESO=S1(=O)C=CC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C8H8ClN3O2S/c9-7-1-2-8(12-11-7)10-6-3-4-15(13,14)5-6/h1-4,6H,5H2,(H,10,12)
InChIKeyWXWLJLLCCFTMDZ-UHFFFAOYSA-N
MW245.69 g/mol
LogP0.85
Rot. Bonds2

About 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine

6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine (PubChem CID 60674953) has the molecular formula C8H8ClN3O2S and a molecular weight of 245.69 g/mol. Its IUPAC name is 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine
PubChem CID60674953
Molecular FormulaC8H8ClN3O2S
Molecular Weight245.69 g/mol
Exact Mass245.00
IUPAC Name6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine
SMILESO=S1(=O)C=CC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C8H8ClN3O2S/c9-7-1-2-8(12-11-7)10-6-3-4-15(13,14)5-6/h1-4,6H,5H2,(H,10,12)
InChIKeyWXWLJLLCCFTMDZ-UHFFFAOYSA-N
XLogP0.85
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine (CID 60674953) is 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine is O=S1(=O)C=CC(Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine?
The InChIKey is WXWLJLLCCFTMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S/c9-7-1-2-8(12-11-7)10-6-3-4-15(13,14)5-6/h1-4,6H,5H2,(H,10,12).
What are the key properties of 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine?
6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine has a molecular weight of 245.69 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridazin-3-amine is sourced from PubChem (CID 60674953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).