N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine

C11H11N7O2 — CID 75522198

IUPACN-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NCCn3ccnc3)nn12
InChIInChI=1S/C11H11N7O2/c19-18(20)11-7-14-10-2-1-9(15-17(10)11)13-4-6-16-5-3-12-8-16/h1-3,5,7-8H,4,6H2,(H,13,15)
InChIKeyDORQGMJIMKQANC-UHFFFAOYSA-N
MW273.26 g/mol
LogP0.95
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine

N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine (PubChem CID 75522198) has the molecular formula C11H11N7O2 and a molecular weight of 273.26 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
PubChem CID75522198
Molecular FormulaC11H11N7O2
Molecular Weight273.26 g/mol
Exact Mass273.10
IUPAC NameN-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NCCn3ccnc3)nn12
InChIInChI=1S/C11H11N7O2/c19-18(20)11-7-14-10-2-1-9(15-17(10)11)13-4-6-16-5-3-12-8-16/h1-3,5,7-8H,4,6H2,(H,13,15)
InChIKeyDORQGMJIMKQANC-UHFFFAOYSA-N
XLogP0.95
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[2-(1H-indol-2-yl)ethyl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133421457
N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine
CID 61324302
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035
2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80808353
3-nitro-N-[3-(oxolan-3-yloxy)propyl]imidazo[1,2-b]pyridazin-6-amine
CID 133419648
3-nitro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133433331
N-(2-imidazol-1-ylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955202
N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280700
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
3-N-(2-imidazol-1-ylethyl)-2-nitrobenzene-1,3-diamine
CID 80804235
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133418579

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine (CID 75522198) is N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine is O=[N+]([O-])c1cnc2ccc(NCCn3ccnc3)nn12.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is DORQGMJIMKQANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2/c19-18(20)11-7-14-10-2-1-9(15-17(10)11)13-4-6-16-5-3-12-8-16/h1-3,5,7-8H,4,6H2,(H,13,15).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine?
N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 273.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 75522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).