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

C8H11N3O2S — CID 117105007

IUPAC6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
SMILESNc1ccc(C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C8H11N3O2S/c9-8-2-1-7(10-11-8)6-3-4-14(12,13)5-6/h1-2,6H,3-5H2,(H2,9,11)
InChIKeySEYTVTMZAYUWRM-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.04
Rot. Bonds1

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

6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine (PubChem CID 117105007) 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-3-amine.

Molecular Properties

Compound Name6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
PubChem CID117105007
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
SMILESNc1ccc(C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C8H11N3O2S/c9-8-2-1-7(10-11-8)6-3-4-14(12,13)5-6/h1-2,6H,3-5H2,(H2,9,11)
InChIKeySEYTVTMZAYUWRM-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

Analyze 6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethylsulfonyl-3-phenylpyrazol-5-amine
CID 5307362
3-Phenyl-1-propylsulfonylpyrazol-5-amine
CID 9551532
[6-[4-(Methylsulfonylmethyl)phenyl]pyridazin-3-yl]hydrazine
CID 58118988
N-(6-propylpyridazin-3-yl)methanesulfonamide
CID 59156598
N-[6-[(E)-prop-1-enyl]pyridazin-3-yl]methanesulfonamide
CID 59156662
N-(6-prop-1-enylpyridazin-3-yl)methanesulfonamide
CID 72543607
6-(Sulfonylmethyl)pyridazin-3-amine
CID 88350097
6-(1-Methylsulfanylpropyl)pyridazin-3-amine
CID 147484585
N-(6-methylpyridazin-3-yl)propane-2-sulfonamide
CID 153986250
4-[(6-Aminopyridazin-3-yl)methylsulfonyl]butanenitrile
CID 175828434
6-(4-Methylsulfonylphenyl)pyridazin-3-amine
CID 62202678
3-amino-5H,7H,8H-6lambda6-thiopyrano[4,3-c]pyridazine-6,6-dione
CID 62784591

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine?
The IUPAC name of 6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine (CID 117105007) is 6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine?
The canonical SMILES for 6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine is Nc1ccc(C2CCS(=O)(=O)C2)nn1.
What is the InChIKey of 6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine?
The InChIKey is SEYTVTMZAYUWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-8-2-1-7(10-11-8)6-3-4-14(12,13)5-6/h1-2,6H,3-5H2,(H2,9,11).
What are the key properties of 6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine?
6-(1,1-dioxothiolan-3-yl)pyridazin-3-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-3-amine is sourced from PubChem (CID 117105007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).