Molecule

ID:104530

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₃N₅

Molecular Mass

203.24372

Exact Mass

203.11709544

Charge

0

InChI

InChI=1S/C10H13N5/c1-2-4-15(5-3-1)10-8-9(12-6-11-8)13-7-14-10/h6-7H,1-5H2,(H,11,12,13,14)

InChIKey

OXCZAXJFRBPQRP-UHFFFAOYSA-N

Canonic Smiles

C1CCN(CC1)c1ncnc2c1[nH]cn2

Isomeric Smiles

C1CCN(CC1)c1ncnc2c1[nH]cn2

Calculated Properties

JChem

Acid pKa

10.161019

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

1.0747243

LogD (pH = 7.4)

1.2111222

Log P

1.2138658

Molar Refractivity

60.0897

Polarizability

21.822039

Polar Surface Area

57.7

Rotatable Bonds

1

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

No Data Available

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Molecule Details

References

Bioactivity