3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine

C12H17BrN4O — CID 86696407

IUPAC3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)(C)OCCNc1ccc2ncc(Br)n2n1
InChIInChI=1S/C12H17BrN4O/c1-12(2,3)18-7-6-14-10-4-5-11-15-8-9(13)17(11)16-10/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeySQSFSSLRBWUDMU-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.72
Rot. Bonds4

About 3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine

3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 86696407) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID86696407
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)(C)OCCNc1ccc2ncc(Br)n2n1
InChIInChI=1S/C12H17BrN4O/c1-12(2,3)18-7-6-14-10-4-5-11-15-8-9(13)17(11)16-10/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeySQSFSSLRBWUDMU-UHFFFAOYSA-N
XLogP2.72
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine (CID 86696407) is 3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine is CC(C)(C)OCCNc1ccc2ncc(Br)n2n1.
What is the InChIKey of 3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is SQSFSSLRBWUDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-12(2,3)18-7-6-14-10-4-5-11-15-8-9(13)17(11)16-10/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine?
3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 313.20 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 86696407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).