6-(thian-4-yl)pyridazin-4-amine

C9H13N3S — CID 117105163

IUPAC6-(thian-4-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCSCC2)c1
InChIInChI=1S/C9H13N3S/c10-8-5-9(12-11-6-8)7-1-3-13-4-2-7/h5-7H,1-4H2,(H2,10,12)
InChIKeyLNYUAEQLDBOFES-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.67
Rot. Bonds1

About 6-(thian-4-yl)pyridazin-4-amine

6-(thian-4-yl)pyridazin-4-amine (PubChem CID 117105163) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-(thian-4-yl)pyridazin-4-amine.

Molecular Properties

Compound Name6-(thian-4-yl)pyridazin-4-amine
PubChem CID117105163
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name6-(thian-4-yl)pyridazin-4-amine
SMILESNc1cnnc(C2CCSCC2)c1
InChIInChI=1S/C9H13N3S/c10-8-5-9(12-11-6-8)7-1-3-13-4-2-7/h5-7H,1-4H2,(H2,10,12)
InChIKeyLNYUAEQLDBOFES-UHFFFAOYSA-N
XLogP1.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(thian-4-yl)pyridazin-4-amine?
The IUPAC name of 6-(thian-4-yl)pyridazin-4-amine (CID 117105163) is 6-(thian-4-yl)pyridazin-4-amine.
What is the SMILES notation for 6-(thian-4-yl)pyridazin-4-amine?
The canonical SMILES for 6-(thian-4-yl)pyridazin-4-amine is Nc1cnnc(C2CCSCC2)c1.
What is the InChIKey of 6-(thian-4-yl)pyridazin-4-amine?
The InChIKey is LNYUAEQLDBOFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c10-8-5-9(12-11-6-8)7-1-3-13-4-2-7/h5-7H,1-4H2,(H2,10,12).
What are the key properties of 6-(thian-4-yl)pyridazin-4-amine?
6-(thian-4-yl)pyridazin-4-amine has a molecular weight of 195.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thian-4-yl)pyridazin-4-amine is sourced from PubChem (CID 117105163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).