Basic information
- Standard SMILES
CN1CCN(c2cccc(Nc3nc4cncc(-c5ccc(S(C)(=O)=O)cc5)n4n3)c2)CC1- InChIKey
XNUMRPLPPUXQNR-UHFFFAOYSA-N- Molecular formula
- C23H25N7O2S
- Average molar mass
- 463.6 g/mol
Names & identifiers
- Preferred name
- [5-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
- IUPAC
- N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
Names & synonyms
SCHEMBL2640654CHEMBL3642334BDBM99606XNUMRPLPPUXQNR-UHFFFAOYSA-NUS8501936, 107[5-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
Database identifiers
- PubChem CID
- 59612438
- ChEMBL
CHEMBL3642334
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 746
Related reactions
2 records
Compound notes
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