Molecule

ID:34779

General Information

Structure

MolImage

Molecular Formula

C₅H₆N₄

Molecular Mass

122.12794

Exact Mass

122.05924621

Charge

0

InChI

InChI=1S/C5H6N4/c6-5(7)4-3-8-1-2-9-4/h1-3H,(H3,6,7)

InChIKey

CEEVRMDYKKNRAW-UHFFFAOYSA-N

Canonic Smiles

NC(=N)c1cnccn1

Isomeric Smiles

c1(C(=N)N)nccnc1

Calculated Properties

JChem

H Acceptors

4

H Donor

2

LogD (pH = 5.5)

-2.989921

LogD (pH = 7.4)

-1.4858333

Log P

-1.1557802

Molar Refractivity

43.0447

Polarizability

12.249308

Polar Surface Area

75.65

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

No Data Available

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Molecule Details

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References

Bioactivity