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

C9H13N3O2S — CID 117105147

IUPAC6-(1,1-dioxothian-4-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C9H13N3O2S/c10-8-5-9(12-11-6-8)7-1-3-15(13,14)4-2-7/h5-7H,1-4H2,(H2,10,12)
InChIKeyMCSHAFONBMNTFN-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.35
Rot. Bonds1

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

6-(1,1-dioxothian-4-yl)pyridazin-4-amine (PubChem CID 117105147) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(1,1-dioxothian-4-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxothian-4-yl)pyridazin-4-amine
PubChem CID117105147
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name6-(1,1-dioxothian-4-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C9H13N3O2S/c10-8-5-9(12-11-6-8)7-1-3-15(13,14)4-2-7/h5-7H,1-4H2,(H2,10,12)
InChIKeyMCSHAFONBMNTFN-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

N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide
CID 153291166
N-[6-(Aminomethyl)-4-pyridazinyl]cyclopropanesulfonamide
CID 163271892
3-Pyridazin-3-ylthiolane 1,1-dioxide
CID 117105006
6-(1,1-Dioxothiolan-3-yl)pyridazin-4-amine
CID 117105010
3-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine
CID 117105013
6-(Thiolan-3-yl)pyridazin-4-amine
CID 117105026
4-Pyridazin-3-ylthiane 1,1-dioxide
CID 117105143
6-(1,1-Dioxothian-4-yl)pyridazine-3,4-diamine
CID 117105148
3-Chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine
CID 117105150
4-(5-Chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105151
4-(5-Bromopyridazin-3-yl)thiane 1,1-dioxide
CID 117105155
3-(Thian-4-yl)pyridazine
CID 117105159

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxothian-4-yl)pyridazin-4-amine?
The IUPAC name of 6-(1,1-dioxothian-4-yl)pyridazin-4-amine (CID 117105147) is 6-(1,1-dioxothian-4-yl)pyridazin-4-amine.
What is the SMILES notation for 6-(1,1-dioxothian-4-yl)pyridazin-4-amine?
The canonical SMILES for 6-(1,1-dioxothian-4-yl)pyridazin-4-amine is Nc1cnnc(C2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 6-(1,1-dioxothian-4-yl)pyridazin-4-amine?
The InChIKey is MCSHAFONBMNTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-8-5-9(12-11-6-8)7-1-3-15(13,14)4-2-7/h5-7H,1-4H2,(H2,10,12).
What are the key properties of 6-(1,1-dioxothian-4-yl)pyridazin-4-amine?
6-(1,1-dioxothian-4-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-4-yl)pyridazin-4-amine is sourced from PubChem (CID 117105147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).