6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine

C8H12N4O2S — CID 117105011

IUPAC6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCS(=O)(=O)C2)nnc1N
InChIInChI=1S/C8H12N4O2S/c9-6-3-7(11-12-8(6)10)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2,(H2,9,11)(H2,10,12)
InChIKeyDZNBHVJNOHTRJI-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.46
Rot. Bonds1

About 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine

6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine (PubChem CID 117105011) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine
PubChem CID117105011
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCS(=O)(=O)C2)nnc1N
InChIInChI=1S/C8H12N4O2S/c9-6-3-7(11-12-8(6)10)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2,(H2,9,11)(H2,10,12)
InChIKeyDZNBHVJNOHTRJI-UHFFFAOYSA-N
XLogP-0.46
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine 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

6-Cyclopentylpyridazine-3,4-diamine
CID 117107200
6-(1,1-Dioxothiolan-3-yl)pyridazin-3-amine
CID 117105007
6-(1,1-Dioxothiolan-3-yl)pyridazin-4-amine
CID 117105010
3-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine
CID 117105013
4-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
CID 117105015
4-Bromo-6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
CID 117105019
6-(Thiolan-3-yl)pyridazin-3-amine
CID 117105023
6-(Thiolan-3-yl)pyridazine-3,4-diamine
CID 117105027
6-(1,1-Dioxothian-4-yl)pyridazin-3-amine
CID 117105144
6-(1,1-Dioxothian-4-yl)pyridazine-3,4-diamine
CID 117105148
6-(Thian-4-yl)pyridazine-3,4-diamine
CID 117105164
6-[(1,1-Dioxothiolan-3-yl)methyl]pyridazin-3-amine
CID 117105276

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine?
The IUPAC name of 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine (CID 117105011) is 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine.
What is the SMILES notation for 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine?
The canonical SMILES for 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine is Nc1cc(C2CCS(=O)(=O)C2)nnc1N.
What is the InChIKey of 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine?
The InChIKey is DZNBHVJNOHTRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-6-3-7(11-12-8(6)10)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2,(H2,9,11)(H2,10,12).
What are the key properties of 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine?
6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine has a molecular weight of 228.28 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxothiolan-3-yl)pyridazine-3,4-diamine is sourced from PubChem (CID 117105011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).