2-Methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol
Basic information
- CAS
731832-87-4- Standard SMILES
COc1cccc(CNn2cnnc2)c1O- InChIKey
IDPDTGVERJADQS-UHFFFAOYSA-N- Molecular formula
- C10H12N4O2
- Average molar mass
- 220.23 g/mol
- Monoisotopic mass
- 220.09602564
Names & identifiers
- Preferred name
- 2-Methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol
- IUPAC
- 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol
Names & synonyms
731832-87-42-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol2-(((4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenol2-methoxy-6-[(4{H}-1,2,4-triazol-4-ylamino)methyl]phenol2-METHOXY-6-{[(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENOLBAS 05346695MLS000715467CHEMBL1408610IDPDTGVERJADQS-UHFFFAOYSA-NDTXSID401326170HMS1686G22HMS2730G07
Show more names
MFCD03673566SBB012879STK005619AKOS000505758SMR000275446ST4130689CS-0317222SR-01000363656
Database identifiers
- CAS
731832-87-4- PubChem CID
- 950750
- DTXSID
DTXSID401326170- ChEMBL
CHEMBL1408610
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
Solubility22.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…