2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine

C8H10N4S — CID 19854390

IUPAC2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine
SMILESNCCSc1ccc2nccn2n1
InChIInChI=1S/C8H10N4S/c9-3-6-13-8-2-1-7-10-4-5-12(7)11-8/h1-2,4-5H,3,6,9H2
InChIKeyMFBFNSFVXQYIDW-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.78
Rot. Bonds3

About 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine

2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine (PubChem CID 19854390) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine.

Molecular Properties

Compound Name2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine
PubChem CID19854390
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine
SMILESNCCSc1ccc2nccn2n1
InChIInChI=1S/C8H10N4S/c9-3-6-13-8-2-1-7-10-4-5-12(7)11-8/h1-2,4-5H,3,6,9H2
InChIKeyMFBFNSFVXQYIDW-UHFFFAOYSA-N
XLogP0.78
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine?
The IUPAC name of 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine (CID 19854390) is 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine.
What is the SMILES notation for 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine?
The canonical SMILES for 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine is NCCSc1ccc2nccn2n1.
What is the InChIKey of 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine?
The InChIKey is MFBFNSFVXQYIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c9-3-6-13-8-2-1-7-10-4-5-12(7)11-8/h1-2,4-5H,3,6,9H2.
What are the key properties of 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine?
2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine has a molecular weight of 194.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-b]pyridazin-6-ylsulfanylethanamine is sourced from PubChem (CID 19854390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).