6-(1,1-dioxothian-3-yl)pyridazin-4-amine

C9H13N3O2S — CID 117105556

IUPAC6-(1,1-dioxothian-3-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C9H13N3O2S/c10-8-4-9(12-11-5-8)7-2-1-3-15(13,14)6-7/h4-5,7H,1-3,6H2,(H2,10,12)
InChIKeyJZDNIIPNVGVKAZ-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.35
Rot. Bonds1

About 6-(1,1-dioxothian-3-yl)pyridazin-4-amine

6-(1,1-dioxothian-3-yl)pyridazin-4-amine (PubChem CID 117105556) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(1,1-dioxothian-3-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxothian-3-yl)pyridazin-4-amine
PubChem CID117105556
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name6-(1,1-dioxothian-3-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C9H13N3O2S/c10-8-4-9(12-11-5-8)7-2-1-3-15(13,14)6-7/h4-5,7H,1-3,6H2,(H2,10,12)
InChIKeyJZDNIIPNVGVKAZ-UHFFFAOYSA-N
XLogP0.35
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
3-pyridazin-3-ylthiane 1,1-dioxide
CID 117105552
6-(1,1-dioxothian-2-yl)pyridazin-4-amine
CID 117105830
3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
CID 115049588
5-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115027948
4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105151
2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 117157783
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115090388
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115085576
2-(1,1-dioxothian-3-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131698
3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117157782
3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43159055

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxothian-3-yl)pyridazin-4-amine?
The IUPAC name of 6-(1,1-dioxothian-3-yl)pyridazin-4-amine (CID 117105556) is 6-(1,1-dioxothian-3-yl)pyridazin-4-amine.
What is the SMILES notation for 6-(1,1-dioxothian-3-yl)pyridazin-4-amine?
The canonical SMILES for 6-(1,1-dioxothian-3-yl)pyridazin-4-amine is Nc1cnnc(C2CCCS(=O)(=O)C2)c1.
What is the InChIKey of 6-(1,1-dioxothian-3-yl)pyridazin-4-amine?
The InChIKey is JZDNIIPNVGVKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-8-4-9(12-11-5-8)7-2-1-3-15(13,14)6-7/h4-5,7H,1-3,6H2,(H2,10,12).
What are the key properties of 6-(1,1-dioxothian-3-yl)pyridazin-4-amine?
6-(1,1-dioxothian-3-yl)pyridazin-4-amine has a molecular weight of 227.29 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxothian-3-yl)pyridazin-4-amine is sourced from PubChem (CID 117105556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).