CAS 653-05-4|Dipyrido[3,2-c:2',3'-e]pyridazine|4,5,9,10-Tetraazaphenanthrene|3,8,9,14-tetraazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,8,10,12-heptaene|3,8,9,14-tetraazatricyclo[8.4.0.0^{2,7}]te...

General Information

Structure

Molecular Formula

C₁₀H₆N₄

Molecular Mass

182.18144

Exact Mass

182.05924621

Charge

InChI

InChI=1S/C10H6N4/c1-3-7-9(11-5-1)10-8(14-13-7)4-2-6-12-10/h1-6H

InChIKey

QMFMZFPFIUREDE-UHFFFAOYSA-N

Canonic Smiles

c1ccc2c(n1)c1ncccc1nn2

Isomeric Smiles

n1cccc2c1c1ncccc1nn2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.8628131

LogD (pH = 7.4)

0.8628134

Log P

0.8628134

Molar Refractivity

50.863

Polarizability

21.871973

Polar Surface Area

51.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Dipyrido[3,2-c:2',3'-e]pyridazine4,5,9,10-Tetraazaphenanthrene

IUPAC Traditional name

3,8,9,14-tetraazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,8,10,12-heptaene

IUPAC name

3,8,9,14-tetraazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,8,10,12-heptaene

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Physical Property

Melting Point

225-230°C

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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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 Traditional name

• IUPAC name

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

• Physical Property

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:76487