CAS 175205-05-7|4-[2-(2-Ethoxy-2-oxoethyl)-2H-tetrazol-5-yl]morpholine|ethyl 2-[5-(morpholin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]acetate|ethyl 2-[5-(morpholin-4-yl)-1,2,3,4-tetrazol-2-yl]acetate|Ethyl [5...

General Information

Structure

Molecular Formula

C₉H₁₅N₅O₃

Molecular Mass

241.2471

Exact Mass

241.11748937

Charge

InChI

InChI=1S/C9H15N5O3/c1-2-17-8(15)7-14-11-9(10-12-14)13-3-5-16-6-4-13/h2-7H2,1H3

InChIKey

VITQTAHZAVYZQC-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)Cn1nnc(n1)N1CCOCC1

Isomeric Smiles

n1(nc(N2CCOCC2)nn1)CC(=O)OCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.40537912

LogD (pH = 7.4)

0.40537915

Log P

0.40537915

Molar Refractivity

72.2765

Polarizability

22.162554

Polar Surface Area

82.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-[2-(2-Ethoxy-2-oxoethyl)-2H-tetrazol-5-yl]morpholineEthyl [5-(morpholin-4-yl)tetrazol-2-yl]acetate

IUPAC name

ethyl 2-[5-(morpholin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]acetate

IUPAC Traditional name

ethyl 2-[5-(morpholin-4-yl)-1,2,3,4-tetrazol-2-yl]acetate

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Registration numbers

Properties

Safety Information

Storage Warning

Irritant

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC name

• IUPAC Traditional name

Registration numbers

• PubChem SID

• PubChem CID

• MDL Number

• CAS Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:88934