Chemical Properties of 7H-imidazo[4,5-d]-v-triazin-4-one, 6-methyl- (CAS 94190-03-1)

InChI

InChI=1S/C5H5N5O/c1-2-6-3-4(7-2)8-10-9-5(3)11/h1H3,(H2,6,7,8,9,11)

InChI Key

KWGOKRBOKHHRDP-UHFFFAOYSA-N

Formula

C5H5N5O

SMILES

Cc1nc2c(O)nnnc2[nH]1

Molecular Weight¹

151.13

CAS

94190-03-1

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 7H-imidazo[4,5-d]-v-triazin-4-one, 6-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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