tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid

C11H13ClN4O2 — CID 174214091

IUPACtert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cn2nc(Cl)ccc2n1
InChIInChI=1S/C11H13ClN4O2/c1-11(2,3)16(10(17)18)9-6-15-8(13-9)5-4-7(12)14-15/h4-6H,1-3H3,(H,17,18)
InChIKeyGFRIEIAWHSRNBD-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.67
Rot. Bonds1

About tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid

tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid (PubChem CID 174214091) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid
PubChem CID174214091
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Nametert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cn2nc(Cl)ccc2n1
InChIInChI=1S/C11H13ClN4O2/c1-11(2,3)16(10(17)18)9-6-15-8(13-9)5-4-7(12)14-15/h4-6H,1-3H3,(H,17,18)
InChIKeyGFRIEIAWHSRNBD-UHFFFAOYSA-N
XLogP2.67
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid?
The IUPAC name of tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid (CID 174214091) is tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid?
The canonical SMILES for tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid is CC(C)(C)N(C(=O)O)c1cn2nc(Cl)ccc2n1.
What is the InChIKey of tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid?
The InChIKey is GFRIEIAWHSRNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-11(2,3)16(10(17)18)9-6-15-8(13-9)5-4-7(12)14-15/h4-6H,1-3H3,(H,17,18).
What are the key properties of tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid?
tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid has a molecular weight of 268.70 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(6-chloroimidazo[1,2-b]pyridazin-2-yl)carbamic acid is sourced from PubChem (CID 174214091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).