6-(1,1-dioxothian-2-yl)pyridazin-4-amine

C9H13N3O2S — CID 117105830

IUPAC6-(1,1-dioxothian-2-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCCCS2(=O)=O)c1
InChIInChI=1S/C9H13N3O2S/c10-7-5-8(12-11-6-7)9-3-1-2-4-15(9,13)14/h5-6,9H,1-4H2,(H2,10,12)
InChIKeyIHGIDYGXQAVSQX-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.70
Rot. Bonds1

About 6-(1,1-dioxothian-2-yl)pyridazin-4-amine

6-(1,1-dioxothian-2-yl)pyridazin-4-amine (PubChem CID 117105830) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(1,1-dioxothian-2-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxothian-2-yl)pyridazin-4-amine
PubChem CID117105830
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name6-(1,1-dioxothian-2-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCCCS2(=O)=O)c1
InChIInChI=1S/C9H13N3O2S/c10-7-5-8(12-11-6-7)9-3-1-2-4-15(9,13)14/h5-6,9H,1-4H2,(H2,10,12)
InChIKeyIHGIDYGXQAVSQX-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,1-dioxothian-3-yl)pyridazin-4-amine
CID 117105556
2-(5-chloro-6-methoxypyridazin-3-yl)thiane 1,1-dioxide
CID 117105927
6-(1,1-dioxothiolan-2-yl)pyridin-3-amine
CID 115027946
2-(5-bromo-6-methoxypyridazin-3-yl)thiolane 1,1-dioxide
CID 117105789
3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144113
3-(1,1-dioxothian-2-yl)-1-phenylpyrazol-5-amine
CID 104519670
2-(4-propan-2-yl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 104523031
2-(4-tert-butyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 113422585
[4-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methanol
CID 115038257
N-[[5-(1,1-dioxothian-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 104522616
5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine
CID 104522878
2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol
CID 117129650

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxothian-2-yl)pyridazin-4-amine?
The IUPAC name of 6-(1,1-dioxothian-2-yl)pyridazin-4-amine (CID 117105830) is 6-(1,1-dioxothian-2-yl)pyridazin-4-amine.
What is the SMILES notation for 6-(1,1-dioxothian-2-yl)pyridazin-4-amine?
The canonical SMILES for 6-(1,1-dioxothian-2-yl)pyridazin-4-amine is Nc1cnnc(C2CCCCS2(=O)=O)c1.
What is the InChIKey of 6-(1,1-dioxothian-2-yl)pyridazin-4-amine?
The InChIKey is IHGIDYGXQAVSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-7-5-8(12-11-6-7)9-3-1-2-4-15(9,13)14/h5-6,9H,1-4H2,(H2,10,12).
What are the key properties of 6-(1,1-dioxothian-2-yl)pyridazin-4-amine?
6-(1,1-dioxothian-2-yl)pyridazin-4-amine has a molecular weight of 227.29 g/mol, XLogP of 0.70, 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-2-yl)pyridazin-4-amine is sourced from PubChem (CID 117105830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).