Molecule

ID:67871

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)2-7-3-8-4/h2-3H,6H2,1H3

InChIKey

DQNDDUOCVSWTOW-UHFFFAOYSA-N

Canonic Smiles

Nc1cncnc1C

Isomeric Smiles

c1nc(c(cn1)N)C

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-0.6487704

LogD (pH = 7.4)

-0.6478323

Log P

-0.64782035

Molar Refractivity

32.0142

Polarizability

11.446685

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

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Molecule Details

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References

Bioactivity