4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0<sup>2</sup>,<sup>7</sup>]trideca-1,3,5,8,10,12-hexaen-6-ol|2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-ol|4,11,13-trimethyl-3,7,8,...

General Information

Structure

Molecular Formula

C₁₂H₁₂N₄O

Molecular Mass

228.24988

Exact Mass

228.10111102

Charge

InChI

InChI=1S/C12H12N4O/c1-6-4-7(2)13-11-10(6)12-14-8(3)5-9(17)16(12)15-11/h4-5,17H,1-3H3

InChIKey

FVVFPWTXKHZMPR-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(C)c2c(n1)nn1c2nc(cc1O)C

Isomeric Smiles

n12c(c3c(n1)nc(cc3C)C)nc(cc2O)C

Calculated Properties

JChem

Acid pKa

8.40161

H Acceptors

H Donor

LogD (pH = 5.5)

1.6969832

LogD (pH = 7.4)

1.6569574

Log P

1.6975193

Molar Refractivity

74.7261

Polarizability

24.241863

Polar Surface Area

63.31

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0²,⁷]trideca-1,3,5,8,10,12-hexaen-6-ol

IUPAC name

4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0²,⁷]trideca-1,3,5,8,10,12-hexaen-6-ol

Synonyms

2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-ol

Names and Identifiers

Registration numbers

PubChem SID

162217063

PubChem CID

1943099

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:122710