[2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol

C12H15N3O2 — CID 156518758

IUPAC[2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol
SMILESOCc1ccc2nc(C3CCOCC3)cn2n1
InChIInChI=1S/C12H15N3O2/c16-8-10-1-2-12-13-11(7-15(12)14-10)9-3-5-17-6-4-9/h1-2,7,9,16H,3-6,8H2
InChIKeyRWDWBARVNQRPDA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.12
Rot. Bonds2

About [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol

[2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol (PubChem CID 156518758) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol.

Molecular Properties

Compound Name[2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol
PubChem CID156518758
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol
SMILESOCc1ccc2nc(C3CCOCC3)cn2n1
InChIInChI=1S/C12H15N3O2/c16-8-10-1-2-12-13-11(7-15(12)14-10)9-3-5-17-6-4-9/h1-2,7,9,16H,3-6,8H2
InChIKeyRWDWBARVNQRPDA-UHFFFAOYSA-N
XLogP1.12
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol?
The IUPAC name of [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol (CID 156518758) is [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol.
What is the SMILES notation for [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol?
The canonical SMILES for [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol is OCc1ccc2nc(C3CCOCC3)cn2n1.
What is the InChIKey of [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol?
The InChIKey is RWDWBARVNQRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-8-10-1-2-12-13-11(7-15(12)14-10)9-3-5-17-6-4-9/h1-2,7,9,16H,3-6,8H2.
What are the key properties of [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol?
[2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol is sourced from PubChem (CID 156518758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).