Basic information
- CAS
76109-78-9- Standard SMILES
COC(=O)c1ccc(Nc2cn[nH]n2)cc1- InChIKey
BSSSIWCHRKWLEC-UHFFFAOYSA-N- Molecular formula
- C10H10N4O2
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.08037557
Names & identifiers
- Preferred name
- methyl 4-(2H-triazol-4-ylamino)benzoate
- IUPAC
- methyl 4-(2H-triazol-4-ylamino)benzoate
Names & synonyms
methyl 4-(2H-triazol-4-ylamino)benzoate76109-78-9DTXSID70320823RefChem:355358DTXCID90271944NSC365087NSC-365087DS-001207Methyl 4-[(2H-1,2,3-triazol-4-yl)amino]benzoate
Database identifiers
- CAS
76109-78-9- PubChem CID
- 339256
- DTXSID
DTXSID70320823
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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