Chemical Properties of RTI 5

InChI

InChI=1S/C15H15N3O/c1-3-18-13-9-5-4-8-12(13)17(2)15(19)11-7-6-10-16-14(11)18/h4-10H,3H2,1-2H3

InChI Key

QIBWCUCLHZVYNL-UHFFFAOYSA-N

Formula

C15H15N3O

SMILES

CCN1c2ccccc2N(C)C(=O)c2cccnc21

Molecular Weight¹

253.31

Other Names

• 11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

• Δ_fH°_gas : Enthalpy of formation 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	56.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.56	eV	Relay (1.0) Calculated Property
log10WS	[-3.32; -3.32]
log10WS	-3.32		Aq. Solubility Prediction
log10WS	-3.32		Estimated Solubility
logPoct/wat	2.830		Crippen Calculated Property
McVol	195.340	ml/mol	McGowan Calculated Property
Tboil	671.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 RTI 5.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.