AG-G-78842
Basic information
- CAS
712293-71-5- Standard SMILES
Cc1nnc2sc(-c3ccccc3N)nn12- InChIKey
ZIXNHSCYSLHVCD-UHFFFAOYSA-N- Molecular formula
- C10H9N5S
- Average molar mass
- 231.28 g/mol
- Monoisotopic mass
- 231.05786648
Names & identifiers
- Preferred name
- AG-G-78842
- IUPAC
- 2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
- English name
- 2-(3-Methyl-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl)-phenylamine
- Molecular formula
- C10H9N5S
- Molecular weight
- 231.28
Names & synonyms
712293-71-5DTXSID10387995AG-G-78842RefChem:317417DTXCID303390172-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline2-(3-METHYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]-THIADIAZOL-6-YL)-PHENYLAMINE2-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline2-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}anilineZIXNHSCYSLHVCD-UHFFFAOYSA-NSBB009734STK199303
Show more names
AKOS BB-7674ASISCHEM B52415TIMTEC-BB SBB009734ART-CHEM-BB B025069ASINEX-REAG BAS 130154772-(3-METHYL[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL)BENZENAMINEBENZENAMINE, 2-(3-METHYL-1,2,4-TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL)
AKOS000108641CCG-120373BAS 09114116CS-03172842-(3-methyl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)phenylamineBenzenamine, 2-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-
Database identifiers
- CAS
712293-71-5- PubChem CID
- 2963871
- DTXSID
DTXSID10387995
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Suppliers
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Related reactions
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Compound notes
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