N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Basic information
- CAS
16282-76-1- Standard SMILES
Cc1cc(NCc2ccccc2)n2ncnc2n1- InChIKey
IGKUHHQUTNBCCC-UHFFFAOYSA-N- Molecular formula
- C13H13N5
- Average molar mass
- 239.28 g/mol
- Monoisotopic mass
- 239.11709544
Names & identifiers
- Preferred name
- N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
- IUPAC
- N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Names & synonyms
N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine16282-76-1DSM178CHEMBL1529387N-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amineTimTec1_008517MLS000709745SCHEMBL7712315DTXSID001322019HMS1558O15HMS2695C04BDBM50345431
Show more names
EBC-65023STL300844AKOS000676574SMR000286912CS-0282466ST50025213EN300-3089879SR-01000319181
Database identifiers
- CAS
16282-76-1- PubChem CID
- 743063
- DTXSID
DTXSID001322019- ChEMBL
CHEMBL1529387
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
Solubility26.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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