3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol

C14H16N4OS — CID 58857757

IUPAC3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESCc1csc(-c2cnc3ccc(NCCCO)nn23)c1
InChIInChI=1S/C14H16N4OS/c1-10-7-12(20-9-10)11-8-16-14-4-3-13(17-18(11)14)15-5-2-6-19/h3-4,7-9,19H,2,5-6H2,1H3,(H,15,17)
InChIKeyOFAIKJYRWAGFLC-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.56
Rot. Bonds5

About 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol

3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (PubChem CID 58857757) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
PubChem CID58857757
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESCc1csc(-c2cnc3ccc(NCCCO)nn23)c1
InChIInChI=1S/C14H16N4OS/c1-10-7-12(20-9-10)11-8-16-14-4-3-13(17-18(11)14)15-5-2-6-19/h3-4,7-9,19H,2,5-6H2,1H3,(H,15,17)
InChIKeyOFAIKJYRWAGFLC-UHFFFAOYSA-N
XLogP2.56
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (CID 58857757) is 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is Cc1csc(-c2cnc3ccc(NCCCO)nn23)c1.
What is the InChIKey of 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The InChIKey is OFAIKJYRWAGFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-7-12(20-9-10)11-8-16-14-4-3-13(17-18(11)14)15-5-2-6-19/h3-4,7-9,19H,2,5-6H2,1H3,(H,15,17).
What are the key properties of 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol has a molecular weight of 288.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is sourced from PubChem (CID 58857757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).