1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propan-1-amine hydrochloride|3-(methylsulfanyl)-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propan-1-amine hydrochloride|3-(methylsulfanyl)-1-{[1,2,4]t...

General Information

Structure

Molecular Formula

C₁₀H₁₅ClN₄S

Molecular Mass

258.7709

Exact Mass

258.07059518

Charge

InChI

InChI=1S/C10H14N4S.ClH/c1-15-7-5-8(11)10-13-12-9-4-2-3-6-14(9)10;/h2-4,6,8H,5,7,11H2,1H3;1H

InChIKey

BNHDTCUAEBCXSY-UHFFFAOYSA-N

Canonic Smiles

CSCCC(c1nnc2n1cccc2)N.Cl

Isomeric Smiles

n12c(nnc1cccc2)C(N)CCSC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.351624

LogD (pH = 7.4)

-0.68792677

Log P

0.21822527

Molar Refractivity

65.5356

Polarizability

24.354416

Polar Surface Area

56.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propan-1-amine hydrochloride

IUPAC name

3-(methylsulfanyl)-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propan-1-amine hydrochloride

IUPAC Traditional name

3-(methylsulfanyl)-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propan-1-amine hydrochloride

Names and Identifiers

Registration numbers

PubChem CID

51051965

PubChem SID

162218608

Registration numbers

Properties

Product Information

Salt Data

HCl

Properties

Related Proteins

No Data Available

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Molecular Spectra

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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:124255