5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-amine
Basic information
- CAS
502685-46-3- Standard SMILES
CCOc1ccc(-c2nc(N)n[nH]2)cc1- InChIKey
MRZCPIGVLSFVAN-UHFFFAOYSA-N- Molecular formula
- C10H12N4O
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.10111102
Names & identifiers
- Preferred name
- 5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-amine
- IUPAC
- 5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-amine
- English name
- 1H-1,2,4-Triazol-3-amine,5-(4-ethoxyphenyl)-(9CI)
- Molecular formula
- C10H12N4O
- Molecular weight
- 204.23
Names & synonyms
5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-amine502685-46-35-(4-ETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-AMINESCHEMBL10171975DTXSID301260486AKOS0001500643-(4-Ethoxyphenyl)-1H-1,2,4-triazol-5-amine1H-1,2,4-Triazol-5-amine, 3-(4-ethoxyphenyl)-1H-1,2,4-Triazol-3-amine,5-(4-ethoxyphenyl)-(9CI)
Database identifiers
- CAS
502685-46-3- PubChem CID
- 3501941
- DTXSID
DTXSID301260486
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 443.9 · 443.9±47.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 10.81 · 10.81±0.40(Predicted)
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Compound notes
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