3-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(pyrrolidin-1-yl)propan-1-one|3-{6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one|3-{6-chloro-[1,2,4]triazolo[4,3-b]...

General Information

Structure

Molecular Formula

C₁₂H₁₄ClN₅O

Molecular Mass

279.72546

Exact Mass

279.08868777

Charge

InChI

InChI=1S/C12H14ClN5O/c13-9-3-4-10-14-15-11(18(10)16-9)5-6-12(19)17-7-1-2-8-17/h3-4H,1-2,5-8H2

InChIKey

GIPYEINKTPUBDN-UHFFFAOYSA-N

Canonic Smiles

O=C(N1CCCC1)CCc1nnc2n1nc(Cl)cc2

Isomeric Smiles

n12c(nnc2CCC(=O)N2CCCC2)ccc(n1)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.51085544

LogD (pH = 7.4)

0.510877

Log P

0.51087725

Molar Refractivity

84.3465

Polarizability

26.917345

Polar Surface Area

63.39

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

3-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-{6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one

IUPAC Traditional name

3-{6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one

Names and Identifiers

Registration numbers

PubChem SID

162217971

PubChem CID

45495452

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:123618