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

C7H7BrN4 — CID 130047301

IUPAC(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine
SMILESNCc1ccc2ncc(Br)n2n1
InChIInChI=1S/C7H7BrN4/c8-6-4-10-7-2-1-5(3-9)11-12(6)7/h1-2,4H,3,9H2
InChIKeyDPMRHSCXUFJUMP-UHFFFAOYSA-N
MW227.06 g/mol
LogP0.95
Rot. Bonds1

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

(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine (PubChem CID 130047301) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine.

Molecular Properties

Compound Name(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine
PubChem CID130047301
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine
SMILESNCc1ccc2ncc(Br)n2n1
InChIInChI=1S/C7H7BrN4/c8-6-4-10-7-2-1-5(3-9)11-12(6)7/h1-2,4H,3,9H2
InChIKeyDPMRHSCXUFJUMP-UHFFFAOYSA-N
XLogP0.95
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine?
The IUPAC name of (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine (CID 130047301) is (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine.
What is the SMILES notation for (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine?
The canonical SMILES for (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine is NCc1ccc2ncc(Br)n2n1.
What is the InChIKey of (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine?
The InChIKey is DPMRHSCXUFJUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c8-6-4-10-7-2-1-5(3-9)11-12(6)7/h1-2,4H,3,9H2.
What are the key properties of (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine?
(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine has a molecular weight of 227.06 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine is sourced from PubChem (CID 130047301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).