Basic information
- CAS
1257705-05-7- Standard SMILES
CS(=O)(=O)c1ccccc1Nc1cccn2nc(Cl)nc12- InChIKey
PKKZAIOGMPSTCB-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4O2S
- Average molar mass
- 322.77 g/mol
- Monoisotopic mass
- 322.02912427
Names & identifiers
- Preferred name
- (2-Chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-(2-methanesulfonyl-phenyl)-amine
- IUPAC
- 2-chloro-N-(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
Names & synonyms
SCHEMBL2634781PKKZAIOGMPSTCB-UHFFFAOYSA-NDTXSID901139372(2-Chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-(2-methanesulfonyl-phenyl)-amine[1,2,4]Triazolo[1,5-a]pyridin-8-amine, 2-chloro-N-[2-(methylsulfonyl)phenyl]-2-Chloro-N-[2-(methanesulfonyl)phenyl][1,2,4]triazolo[1,5-a]pyridin-8-amine1257705-05-7
Database identifiers
- CAS
1257705-05-7- PubChem CID
- 67478992
- DTXSID
DTXSID901139372
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Related reactions
15 records
Compound notes
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