(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol

C12H16ClN5O — CID 89216441

IUPAC(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol
SMILESCN1CCN(C(O)c2cnc3ccc(Cl)nn23)CC1
InChIInChI=1S/C12H16ClN5O/c1-16-4-6-17(7-5-16)12(19)9-8-14-11-3-2-10(13)15-18(9)11/h2-3,8,12,19H,4-7H2,1H3
InChIKeyMLFNXPIQPIZNQD-UHFFFAOYSA-N
MW281.75 g/mol
LogP0.62
Rot. Bonds2

About (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol

(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol (PubChem CID 89216441) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol
PubChem CID89216441
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol
SMILESCN1CCN(C(O)c2cnc3ccc(Cl)nn23)CC1
InChIInChI=1S/C12H16ClN5O/c1-16-4-6-17(7-5-16)12(19)9-8-14-11-3-2-10(13)15-18(9)11/h2-3,8,12,19H,4-7H2,1H3
InChIKeyMLFNXPIQPIZNQD-UHFFFAOYSA-N
XLogP0.62
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol?
The IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol (CID 89216441) is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol.
What is the SMILES notation for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol?
The canonical SMILES for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol is CN1CCN(C(O)c2cnc3ccc(Cl)nn23)CC1.
What is the InChIKey of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol?
The InChIKey is MLFNXPIQPIZNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-16-4-6-17(7-5-16)12(19)9-8-14-11-3-2-10(13)15-18(9)11/h2-3,8,12,19H,4-7H2,1H3.
What are the key properties of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol?
(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol has a molecular weight of 281.75 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-(4-methylpiperazin-1-yl)methanol is sourced from PubChem (CID 89216441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).