N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine

C15H21N5O2 — CID 133419553

IUPACN-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine
SMILESCN(c1ccc2ncc([N+](=O)[O-])n2n1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H21N5O2/c1-15(2)8-6-11(7-9-15)18(3)13-5-4-12-16-10-14(20(21)22)19(12)17-13/h4-5,10-11H,6-9H2,1-3H3
InChIKeyAICJZAVUPHXLMU-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.04
Rot. Bonds3

About N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine

N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine (PubChem CID 133419553) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine
PubChem CID133419553
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine
SMILESCN(c1ccc2ncc([N+](=O)[O-])n2n1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H21N5O2/c1-15(2)8-6-11(7-9-15)18(3)13-5-4-12-16-10-14(20(21)22)19(12)17-13/h4-5,10-11H,6-9H2,1-3H3
InChIKeyAICJZAVUPHXLMU-UHFFFAOYSA-N
XLogP3.04
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine (CID 133419553) is N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine is CN(c1ccc2ncc([N+](=O)[O-])n2n1)C1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AICJZAVUPHXLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2)8-6-11(7-9-15)18(3)13-5-4-12-16-10-14(20(21)22)19(12)17-13/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine?
N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 303.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-N-methyl-3-nitroimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 133419553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).