2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-amine|2-(3-chloro-4-methoxyphenyl)-6-methyl-1,2,3-benzotriazol-5-amine|2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5...

General Information

Structure

Molecular Formula

C₁₄H₁₃ClN₄O

Molecular Mass

288.73222

Exact Mass

288.07778874

Charge

InChI

InChI=1S/C14H13ClN4O/c1-8-5-12-13(7-11(8)16)18-19(17-12)9-3-4-14(20-2)10(15)6-9/h3-7H,16H2,1-2H3

InChIKey

BGNDWNNNEAFUTP-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)N)C

Isomeric Smiles

n1(nc2c(n1)cc(c(c2)N)C)c1cc(c(cc1)OC)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9525115

LogD (pH = 7.4)

2.9526975

Log P

2.9527

Molar Refractivity

90.3834

Polarizability

31.324396

Polar Surface Area

65.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-amine

IUPAC Traditional name

2-(3-chloro-4-methoxyphenyl)-6-methyl-1,2,3-benzotriazol-5-amine

IUPAC name

2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine

Names and Identifiers

Registration numbers

PubChem SID

162215004

PubChem CID

2722200

Registration numbers

Properties

No Data Available

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Related Proteins

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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:120651