Molecule

ID:65376

General Information

Structure

MolImage

Molecular Formula

C₅H₄N₄

Molecular Mass

120.11206

Exact Mass

120.04359615

Charge

0

InChI

InChI=1S/C5H4N4/c1-2-7-5-4(6-1)3-8-9-5/h1-3H,(H,7,8,9)

InChIKey

DDZGQYREBDXECY-UHFFFAOYSA-N

Canonic Smiles

c1cnc2c(n1)[nH]nc2

Isomeric Smiles

c1nc2c(nc1)[nH]nc2

Calculated Properties

JChem

Acid pKa

9.636645

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-0.3857589

LogD (pH = 7.4)

-0.38817453

Log P

-0.38572478

Molar Refractivity

31.3399

Polarizability

12.204179

Polar Surface Area

54.46

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