(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol

C11H12ClN3O — CID 87771582

IUPAC(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol
SMILESOCc1c(C2CCC2)nc2ccc(Cl)nn12
InChIInChI=1S/C11H12ClN3O/c12-9-4-5-10-13-11(7-2-1-3-7)8(6-16)15(10)14-9/h4-5,7,16H,1-3,6H2
InChIKeyQYPURWDUZATWKI-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.14
Rot. Bonds2

About (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol

(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol (PubChem CID 87771582) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol.

Molecular Properties

Compound Name(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol
PubChem CID87771582
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol
SMILESOCc1c(C2CCC2)nc2ccc(Cl)nn12
InChIInChI=1S/C11H12ClN3O/c12-9-4-5-10-13-11(7-2-1-3-7)8(6-16)15(10)14-9/h4-5,7,16H,1-3,6H2
InChIKeyQYPURWDUZATWKI-UHFFFAOYSA-N
XLogP2.14
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol?
The IUPAC name of (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol (CID 87771582) is (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol.
What is the SMILES notation for (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol?
The canonical SMILES for (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol is OCc1c(C2CCC2)nc2ccc(Cl)nn12.
What is the InChIKey of (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol?
The InChIKey is QYPURWDUZATWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-4-5-10-13-11(7-2-1-3-7)8(6-16)15(10)14-9/h4-5,7,16H,1-3,6H2.
What are the key properties of (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol?
(6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol has a molecular weight of 237.69 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-cyclobutylimidazo[1,2-b]pyridazin-3-yl)methanol is sourced from PubChem (CID 87771582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).