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

C8H11N3O2S — CID 117105010

IUPAC6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C8H11N3O2S/c9-7-3-8(11-10-4-7)6-1-2-14(12,13)5-6/h3-4,6H,1-2,5H2,(H2,9,11)
InChIKeyCTBKXCCPXHWWRP-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.04
Rot. Bonds1

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

6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine (PubChem CID 117105010) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine
PubChem CID117105010
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C8H11N3O2S/c9-7-3-8(11-10-4-7)6-1-2-14(12,13)5-6/h3-4,6H,1-2,5H2,(H2,9,11)
InChIKeyCTBKXCCPXHWWRP-UHFFFAOYSA-N
XLogP-0.04
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.04
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)pyridazine-3,4-diamine
CID 117105011
3-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine
CID 117105013
3-(5-Chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
3-(5-Bromopyridazin-3-yl)thiolane 1,1-dioxide
CID 117105018
3-(Thiolan-3-yl)pyridazine
CID 117105022
6-(Thiolan-3-yl)pyridazin-4-amine
CID 117105026
4-Pyridazin-3-ylthiane 1,1-dioxide
CID 117105143
6-(1,1-Dioxothian-4-yl)pyridazin-4-amine
CID 117105147
3-Chloro-6-(1,1-dioxothian-4-yl)pyridazin-4-amine
CID 117105150

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine?
The IUPAC name of 6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine (CID 117105010) is 6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine.
What is the SMILES notation for 6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine?
The canonical SMILES for 6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine is Nc1cnnc(C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine?
The InChIKey is CTBKXCCPXHWWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-7-3-8(11-10-4-7)6-1-2-14(12,13)5-6/h3-4,6H,1-2,5H2,(H2,9,11).
What are the key properties of 6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine?
6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine has a molecular weight of 213.26 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine is sourced from PubChem (CID 117105010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).