5-(2-aminoethyl)-2H-1,2,4-triazol-3-amine dihydrochloride|5-Amino-3-(2-aminoethyl)-1H-1,2,4-triazole dihydrochloride|3-(2-Aminoethyl)-1H-1,2,4-triazol-5-amine dihydrochloride|3-(2-aminoethyl)-1H-1,2...

General Information

Structure

Molecular Formula

C₄H₁₁Cl₂N₅

Molecular Mass

200.06964

Exact Mass

199.03915074

Charge

InChI

InChI=1S/C4H9N5.2ClH/c5-2-1-3-7-4(6)9-8-3;;/h1-2,5H2,(H3,6,7,8,9);2*1H

InChIKey

WNKJGECUPKBBPV-UHFFFAOYSA-N

Canonic Smiles

NCCc1[nH]nc(n1)N.Cl.Cl

Isomeric Smiles

[nH]1c(nc(n1)N)CCN.Cl.Cl

Calculated Properties

JChem

Acid pKa

11.570671

H Acceptors

H Donor

LogD (pH = 5.5)

-3.8085628

LogD (pH = 7.4)

-2.6231782

Log P

-0.6620383

Molar Refractivity

35.7767

Polarizability

12.556498

Polar Surface Area

93.61

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

5-(2-aminoethyl)-2H-1,2,4-triazol-3-amine dihydrochloride 5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine dihydrochloride

Synonyms

5-Amino-3-(2-aminoethyl)-1H-1,2,4-triazole dihydrochloride3-(2-Aminoethyl)-1H-1,2,4-triazol-5-amine dihydrochloride3-(2-aminoethyl)-1H-1,2,4-triazol-5-amine dihydrochloride5-(2-Aminoethyl)-1H-1,2,4-triazol-3-amine dihydrochloride

IUPAC name

3-(2-aminoethyl)-1H-1,2,4-triazol-5-amine dihydrochloride 5-(2-aminoethyl)-1H-1,2,4-triazol-3-amine dihydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00460101

PubChem SID

162103939

PubChem CID

44118585

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

Physical Property

Hydrophobicity(logP)

-1.428

Melting Point

223 - 225°C

Product Information

95%

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• Synonyms

• IUPAC name

Registration numbers

• MDL Number

• PubChem SID

• PubChem CID

Properties

• Safety Information

• Physical Property

• Product Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:71944