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

C9H13N3O2S — CID 117105144

IUPAC6-(1,1-dioxothian-4-yl)pyridazin-3-amine
SMILESNc1ccc(C2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C9H13N3O2S/c10-9-2-1-8(11-12-9)7-3-5-15(13,14)6-4-7/h1-2,7H,3-6H2,(H2,10,12)
InChIKeyKCVLVOYEGPBNEM-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.35
Rot. Bonds1

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

6-(1,1-dioxothian-4-yl)pyridazin-3-amine (PubChem CID 117105144) 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-3-amine.

Molecular Properties

Compound Name6-(1,1-dioxothian-4-yl)pyridazin-3-amine
PubChem CID117105144
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name6-(1,1-dioxothian-4-yl)pyridazin-3-amine
SMILESNc1ccc(C2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C9H13N3O2S/c10-9-2-1-8(11-12-9)7-3-5-15(13,14)6-4-7/h1-2,7H,3-6H2,(H2,10,12)
InChIKeyKCVLVOYEGPBNEM-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

[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-[2-[2-(6-Aminopyridazin-3-yl)ethylsulfanyl]ethyl]pyridazin-3-amine
CID 89596973
6-(1-Methylsulfanylpropyl)pyridazin-3-amine
CID 147484585
N-(6-methylpyridazin-3-yl)propane-2-sulfonamide
CID 153986250
6-(3-ethylsulfonyl-2-methyl-1H-pyridin-2-yl)pyridazin-3-amine
CID 166695391
4-[(6-Aminopyridazin-3-yl)methylsulfonyl]butanenitrile
CID 175828434
N-[3-(6-aminopyridazin-3-yl)phenyl]cyclopropanesulfonamide
CID 178065218
6-(4-Methylsulfonylphenyl)pyridazin-3-amine
CID 62202678

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxothian-4-yl)pyridazin-3-amine?
The IUPAC name of 6-(1,1-dioxothian-4-yl)pyridazin-3-amine (CID 117105144) is 6-(1,1-dioxothian-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(1,1-dioxothian-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-(1,1-dioxothian-4-yl)pyridazin-3-amine is Nc1ccc(C2CCS(=O)(=O)CC2)nn1.
What is the InChIKey of 6-(1,1-dioxothian-4-yl)pyridazin-3-amine?
The InChIKey is KCVLVOYEGPBNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-9-2-1-8(11-12-9)7-3-5-15(13,14)6-4-7/h1-2,7H,3-6H2,(H2,10,12).
What are the key properties of 6-(1,1-dioxothian-4-yl)pyridazin-3-amine?
6-(1,1-dioxothian-4-yl)pyridazin-3-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-3-amine is sourced from PubChem (CID 117105144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).