N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine

C11H13FN4O — CID 126857087

IUPACN-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESFC1OCCCC1Nc1ccc2nccn2n1
InChIInChI=1S/C11H13FN4O/c12-11-8(2-1-7-17-11)14-9-3-4-10-13-5-6-16(10)15-9/h3-6,8,11H,1-2,7H2,(H,14,15)
InChIKeyACQWDLXBSIYGLU-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.62
Rot. Bonds2

About N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine

N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126857087) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126857087
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC NameN-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESFC1OCCCC1Nc1ccc2nccn2n1
InChIInChI=1S/C11H13FN4O/c12-11-8(2-1-7-17-11)14-9-3-4-10-13-5-6-16(10)15-9/h3-6,8,11H,1-2,7H2,(H,14,15)
InChIKeyACQWDLXBSIYGLU-UHFFFAOYSA-N
XLogP1.62
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine (CID 126857087) is N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine is FC1OCCCC1Nc1ccc2nccn2n1.
What is the InChIKey of N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is ACQWDLXBSIYGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c12-11-8(2-1-7-17-11)14-9-3-4-10-13-5-6-16(10)15-9/h3-6,8,11H,1-2,7H2,(H,14,15).
What are the key properties of N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 236.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorooxan-3-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126857087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).