- InChI
- InChI=1S/C7H6N4/c1-5-2-9-6-3-8-4-10-7(6)11-5/h2-4H,1H3
- InChI Key
- KOCYTWBTXZOUFS-UHFFFAOYSA-N
- Formula
- C7H6N4
- SMILES
- Cc1cnc2cncnc2n1
- Molecular Weight1
- 146.15
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4389 | Relay (... Calculated Property | |
| ΔfG° | 339.69 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 298.09 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 70.10 | kJ/mol | Relay (... Calculated Property |
| IE | 9.34 | eV | Relay (... Calculated Property |
| log10WS | [-0.85; 0.06] |
|
|
| log10WS | 0.06 | Aq. Sol... | |
| log10WS | -0.85 | Estimat... | |
| log10WS | -0.85 | Rytting... | |
| logPoct/wat | 0.728 | Crippen Calculated Property | |
| McVol | 106.190 | ml/mol | McGowan Calculated Property |
| Pc | 5777.96 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 520.03 | K | Relay (... Calculated Property |
| Tc | 843.24 | K | Relay (... Calculated Property |
| Tfus | 414.10 | K | Relay (... Calculated Property |
| Vc | 0.411 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 7-Methylpteridine.
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
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
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