CAS 35808-40-3|1H,2H,3H,4H-pyrido[2,3-b]pyrazine|1,2,3,4-Tetrahydropyrido[2,3-b]pyrazine|1H,2H,3H,4H-pyrido[2,3-b]pyrazine|1H,2H,3H,4H-pyrido[2,3-b]pyrazine

General Information

Structure

Molecular Formula

C₇H₉N₃

Molecular Mass

135.16646

Exact Mass

135.0796473

Charge

InChI

InChI=1S/C7H9N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-3,8H,4-5H2,(H,9,10)

InChIKey

HOFCYSNYAFJTSI-UHFFFAOYSA-N

Canonic Smiles

C1CNc2c(N1)nccc2

Isomeric Smiles

c12c(NCCN1)cccn2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.0825384

LogD (pH = 7.4)

-0.0152823385

Log P

0.12406223

Molar Refractivity

42.6332

Polarizability

14.662008

Polar Surface Area

36.95

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1H,2H,3H,4H-pyrido[2,3-b]pyrazine

Synonyms

1,2,3,4-Tetrahydropyrido[2,3-b]pyrazine1H,2H,3H,4H-pyrido[2,3-b]pyrazine

IUPAC Traditional name

1H,2H,3H,4H-pyrido[2,3-b]pyrazine

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

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

• IUPAC name

• Synonyms

• IUPAC Traditional name

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

Properties

• Safety Information

• Product Information

• Physical Property

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:67037