4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine

C10H11BrN4S — CID 169237155

IUPAC4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine
SMILESBrc1cnc2ccc(N3CCSCC3)nn12
InChIInChI=1S/C10H11BrN4S/c11-8-7-12-9-1-2-10(13-15(8)9)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyXYPPKXZWPREWAY-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.05
Rot. Bonds1

About 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine

4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine (PubChem CID 169237155) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine
PubChem CID169237155
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine
SMILESBrc1cnc2ccc(N3CCSCC3)nn12
InChIInChI=1S/C10H11BrN4S/c11-8-7-12-9-1-2-10(13-15(8)9)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyXYPPKXZWPREWAY-UHFFFAOYSA-N
XLogP2.05
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine?
The IUPAC name of 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine (CID 169237155) is 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine.
What is the SMILES notation for 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine?
The canonical SMILES for 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine is Brc1cnc2ccc(N3CCSCC3)nn12.
What is the InChIKey of 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine?
The InChIKey is XYPPKXZWPREWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c11-8-7-12-9-1-2-10(13-15(8)9)14-3-5-16-6-4-14/h1-2,7H,3-6H2.
What are the key properties of 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine?
4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine has a molecular weight of 299.20 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine is sourced from PubChem (CID 169237155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).