2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide

C13H19N5O2 — CID 71912088

IUPAC2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)c1ccc2nccn2n1
InChIInChI=1S/C13H19N5O2/c1-17(10-13(19)15-6-3-9-20-2)12-5-4-11-14-7-8-18(11)16-12/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,19)
InChIKeySOZRKIFPCADCMD-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.32
Rot. Bonds7

About 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide

2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 71912088) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID71912088
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)c1ccc2nccn2n1
InChIInChI=1S/C13H19N5O2/c1-17(10-13(19)15-6-3-9-20-2)12-5-4-11-14-7-8-18(11)16-12/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,19)
InChIKeySOZRKIFPCADCMD-UHFFFAOYSA-N
XLogP0.32
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
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 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide (CID 71912088) is 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)c1ccc2nccn2n1.
What is the InChIKey of 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is SOZRKIFPCADCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17(10-13(19)15-6-3-9-20-2)12-5-4-11-14-7-8-18(11)16-12/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,19).
What are the key properties of 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide?
2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 277.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[imidazo[1,2-b]pyridazin-6-yl(methyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 71912088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).