Molecule

ID:67786

General Information

Structure

Molecular Formula

C₅H₄N₄

Molecular Mass

120.11206

Exact Mass

120.04359615

Charge

0

InChI

InChI=1S/C5H4N4/c6-3-4-5(7)9-2-1-8-4/h1-2H,(H2,7,9)

InChIKey

GPIZLEHIVRHDAW-UHFFFAOYSA-N

Canonic Smiles

N#Cc1nccnc1N

Isomeric Smiles

c1(c(nccn1)N)C#N

Calculated Properties

JChem

Acid pKa

17.172535

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-0.45462105

LogD (pH = 7.4)

-0.45462096

Log P

-0.45462096

Molar Refractivity

32.1077

Polarizability

11.546513

Polar Surface Area

75.59

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

Bioactivity