6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine

C13H15N5O2 — CID 133480952

IUPAC6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CCCC4(CC4)C3)nn12
InChIInChI=1S/C13H15N5O2/c19-18(20)12-8-14-10-2-3-11(15-17(10)12)16-7-1-4-13(9-16)5-6-13/h2-3,8H,1,4-7,9H2
InChIKeyWEIOFBISILYGGF-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.02
Rot. Bonds2

About 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine

6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine (PubChem CID 133480952) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine
PubChem CID133480952
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine
SMILESO=[N+]([O-])c1cnc2ccc(N3CCCC4(CC4)C3)nn12
InChIInChI=1S/C13H15N5O2/c19-18(20)12-8-14-10-2-3-11(15-17(10)12)16-7-1-4-13(9-16)5-6-13/h2-3,8H,1,4-7,9H2
InChIKeyWEIOFBISILYGGF-UHFFFAOYSA-N
XLogP2.02
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133421191
6-(5-azaspiro[2.5]octan-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133480874
(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
CID 133486323
2-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133419569
6-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
CID 133432489
3-nitro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 133450922
5,7-difluoro-2-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 133421030
3-nitro-6-(3-pyridin-4-yloxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 133420016
3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 133421452
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-nitroimidazo[1,2-b]pyridazine
CID 133420977
6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
CID 170838751
3-methyl-5-[[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 71908110

Frequently Asked Questions

What is the IUPAC name of 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine (CID 133480952) is 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine is O=[N+]([O-])c1cnc2ccc(N3CCCC4(CC4)C3)nn12.
What is the InChIKey of 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine?
The InChIKey is WEIOFBISILYGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-18(20)12-8-14-10-2-3-11(15-17(10)12)16-7-1-4-13(9-16)5-6-13/h2-3,8H,1,4-7,9H2.
What are the key properties of 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine?
6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine has a molecular weight of 273.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 133480952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).