Molecule

ID:66687

General Information

Structure

MolImage

Molecular Formula

C₅H₇N₃

Molecular Mass

109.12918

Exact Mass

109.06399724

Charge

0

InChI

InChI=1S/C5H7N3/c1-4-5(6)8-3-2-7-4/h2-3H,1H3,(H2,6,8)

InChIKey

VQPHZDDLWFHRHR-UHFFFAOYSA-N

Canonic Smiles

Cc1nccnc1N

Isomeric Smiles

c1(c(nccn1)C)N

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-0.56546617

LogD (pH = 7.4)

-0.5652007

Log P

-0.5651973

Molar Refractivity

31.3496

Polarizability

11.444242

Polar Surface Area

51.8

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity