3-[2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethoxy]benzenemethanamine
Basic information
- CAS
1244030-94-1- Standard SMILES
Cc1nc(C)n(CCOc2cccc(CN)c2)n1- InChIKey
JGCHBESQWRZIDD-UHFFFAOYSA-N- Molecular formula
- C13H18N4O
- Average molar mass
- 246.31 g/mol
- Monoisotopic mass
- 246.14806121
Names & identifiers
- Preferred name
- 3-[2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethoxy]benzenemethanamine
- IUPAC
- [3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]phenyl]methanamine
Names & synonyms
DTXSID701166468AKOS0106016321-{3-[2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethoxy]phenyl}methanamine3-[2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethoxy]benzenemethanamine1244030-94-1
Database identifiers
- CAS
1244030-94-1- PubChem CID
- 61345913
- DTXSID
DTXSID701166468
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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