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

C9H14N4O2S — CID 117105148

IUPAC6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCS(=O)(=O)CC2)nnc1N
InChIInChI=1S/C9H14N4O2S/c10-7-5-8(12-13-9(7)11)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2,(H2,10,12)(H2,11,13)
InChIKeyLPHQBHOZRPDJEM-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.07
Rot. Bonds1

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

6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine (PubChem CID 117105148) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine
PubChem CID117105148
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine
SMILESNc1cc(C2CCS(=O)(=O)CC2)nnc1N
InChIInChI=1S/C9H14N4O2S/c10-7-5-8(12-13-9(7)11)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2,(H2,10,12)(H2,11,13)
InChIKeyLPHQBHOZRPDJEM-UHFFFAOYSA-N
XLogP-0.07
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine?
The IUPAC name of 6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine (CID 117105148) is 6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine.
What is the SMILES notation for 6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine?
The canonical SMILES for 6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine is Nc1cc(C2CCS(=O)(=O)CC2)nnc1N.
What is the InChIKey of 6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine?
The InChIKey is LPHQBHOZRPDJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c10-7-5-8(12-13-9(7)11)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2,(H2,10,12)(H2,11,13).
What are the key properties of 6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine?
6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine has a molecular weight of 242.30 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxothian-4-yl)pyridazine-3,4-diamine is sourced from PubChem (CID 117105148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).