2-[5-(4-aminophenyl)-1,2,3,4-tetrazol-2-yl]acetamide|2-[5-(4-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide|2-(5-(4-aminophenyl)-2H-tetrazol-2-yl)acetamide

General Information

Structure

Molecular Formula

C₉H₁₀N₆O

Molecular Mass

218.2153

Exact Mass

218.09160897

Charge

InChI

InChI=1S/C9H10N6O/c10-7-3-1-6(2-4-7)9-12-14-15(13-9)5-8(11)16/h1-4H,5,10H2,(H2,11,16)

InChIKey

HMABIYQCWLZDLJ-UHFFFAOYSA-N

Canonic Smiles

NC(=O)Cn1nnc(n1)c1ccc(cc1)N

Isomeric Smiles

n1n(nnc1c1ccc(N)cc1)CC(=O)N

Calculated Properties

JChem

Acid pKa

15.452238

H Acceptors

H Donor

LogD (pH = 5.5)

0.13930812

LogD (pH = 7.4)

0.13975117

Log P

0.13975681

Molar Refractivity

81.2434

Polarizability

21.720644

Polar Surface Area

112.71

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-[5-(4-aminophenyl)-1,2,3,4-tetrazol-2-yl]acetamide

IUPAC name

2-[5-(4-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide

Synonyms

2-(5-(4-aminophenyl)-2H-tetrazol-2-yl)acetamide

Names and Identifiers

Registration numbers

PubChem CID

18524543

PubChem SID

162218941

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:124588