CAS 14389-12-9|4-(1H-1,2,3,4-tetrazol-5-yl)pyridine|5-(4-Pyridyl)-1H-tetrazole|4-(1H-1,2,3,4-tetrazol-5-yl)pyridine|4-(1H-Tetrazol-5-yl)pyridine|5-(Pyridin-4-yl)-1H-tetrazole|4-(1H-1,2,3,4-tetrazol-...

General Information

Structure

Molecular Formula

C₆H₅N₅

Molecular Mass

147.1374

Exact Mass

147.05449519

Charge

InChI

InChI=1S/C6H5N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)

InChIKey

JMILUUVWLRKJFB-UHFFFAOYSA-N

Canonic Smiles

n1ccc(cc1)c1nnn[nH]1

Isomeric Smiles

n1nc([nH]n1)c1ccncc1

Calculated Properties

JChem

Acid pKa

7.4054503

H Acceptors

H Donor

LogD (pH = 5.5)

0.71325105

LogD (pH = 7.4)

0.4324282

Log P

0.71884906

Molar Refractivity

51.2633

Polarizability

14.776153

Polar Surface Area

67.35

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-(1H-1,2,3,4-tetrazol-5-yl)pyridine 4-(2H-1,2,3,4-tetrazol-5-yl)pyridine

Synonyms

5-(4-Pyridyl)-1H-tetrazole4-(1H-Tetrazol-5-yl)pyridine5-(Pyridin-4-yl)-1H-tetrazole4-(1H-1,2,3,4-tetrazol-5-yl)pyridine5-(4-吡啶基)-1H-四唑5-(4-Pyridyl)-1H-tetrazole4-(2H-TETRAZOL-5-YL)-PYRIDINE

IUPAC name

4-(1H-1,2,3,4-tetrazol-5-yl)pyridine 4-(2H-1,2,3,4-tetrazol-5-yl)pyridine

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number

Registration numbers

Properties

Product Information

Purity

98%

95%

Physical Property

265-267°C

249 - 251°C

1.176

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

Names and Identifiers

IUPAC Traditional name

4-(1H-1,2,3,4-tetrazol-5-yl)pyridine 4-(2H-1,2,3,4-tetrazol-5-yl)pyridine

Synonyms

5-(4-Pyridyl)-1H-tetrazole4-(1H-Tetrazol-5-yl)pyridine5-(Pyridin-4-yl)-1H-tetrazole4-(1H-1,2,3,4-tetrazol-5-yl)pyridine5-(4-吡啶基)-1H-四唑5-(4-Pyridyl)-1H-tetrazole4-(2H-TETRAZOL-5-YL)-PYRIDINE

IUPAC name

4-(1H-1,2,3,4-tetrazol-5-yl)pyridine 4-(2H-1,2,3,4-tetrazol-5-yl)pyridine

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Product Information

Purity

98%

95%

Physical Property

265-267°C

249 - 251°C

1.176

Molecule

ID:7891