![1H-[1,2,3]Triazole-4-carboxamide, 5-amino-1-(phenylmethyl)-](/cid/25-174-1/1H-1-2-3-Triazole-4-carboxamide-5-amino-1-phenylmethyl.png "1H-[1,2,3]Triazole-4-carboxamide, 5-amino-1-(phenylmethyl)-")
- InChI
- InChI=1S/C10H11N5O/c11-9-8(10(12)16)13-14-15(9)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,16)
- InChI Key
- SPSJTSUTONSWEX-UHFFFAOYSA-N
- Formula
- C10H11N5O
- SMILES
- NC(=O)c1nnn(Cc2ccccc2)c1N
- Molecular Weight1
- 217.23
- CAS
- 4342-08-9
- Other Names
-
- 1H-[1,2,3]Triazole-4-carboxamide, 5-amino-1-benzyl-
- 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 | 0.7904 | Relay (1.0) Calculated Property | |
| ΔfG° | 379.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 195.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.008 | Crippen Calculated Property | |
| McVol | 160.010 | ml/mol | McGowan Calculated Property |
| Pc | 3584.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 635.76 | K | Relay (1.0) Calculated Property |
| Tc | 977.76 | K | Relay (1.0) Calculated Property |
| Tfus | 517.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.605 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-[1,2,3]Triazole-4-carboxamide, 5-amino-1-(phenylmethyl)-.
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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