Chemical Properties of Pyridine, 4-[(s-triazol-3-yl-amino)methyl]-

InChI

InChI=1S/C8H9N5/c1-3-9-4-2-7(1)5-10-8-11-6-12-13-8/h1-4,6H,5H2,(H2,10,11,12,13)

InChI Key

NJSXHDJFNJXUBR-UHFFFAOYSA-N

Formula

C8H9N5

SMILES

c1cc(CNc2nc[nH]n2)ccn1

Molecular Weight¹

175.19

• ω : Acentric Factor.
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Pyridine, 4-[(s-triazol-3-yl-amino)methyl]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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