Molecule

ID:64827

General Information

Structure

MolImage

Molecular Formula

C₄H₆N₄O

Molecular Mass

126.11664

Exact Mass

126.05416083

Charge

0

InChI

InChI=1S/C4H6N4O/c5-8-3-1-2-6-4(9)7-3/h1-2H,5H2,(H2,6,7,8,9)

InChIKey

ZMYMWRORNQVELJ-UHFFFAOYSA-N

Canonic Smiles

NNc1cc[nH]c(=O)n1

Isomeric Smiles

[nH]1ccc(nc1=O)NN

Calculated Properties

JChem

Acid pKa

9.973581

H Acceptors

4

H Donor

3

LogD (pH = 5.5)

-1.5311701

LogD (pH = 7.4)

-1.4711058

Log P

-1.4692085

Molar Refractivity

42.9254

Polarizability

11.69959

Polar Surface Area

79.51

Rotatable Bonds

1

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