3-Methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
Basic information
- CAS
3176-51-0- Standard SMILES
Cc1nnc2sc(N)nn12- InChIKey
MSEQOANGAYRVAI-UHFFFAOYSA-N- Molecular formula
- C4H5N5S
- Average molar mass
- 155.18 g/mol
- Monoisotopic mass
- 155.02656635
Names & identifiers
- Preferred name
- 3-Methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
- IUPAC
- 3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
- English name
- 3-Methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylamine
- Molecular formula
- C4H5N5S
- Molecular weight
- 155.18
Names & synonyms
3176-51-03-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amineMFCD06653189NSC79004CHEMBL4462996DTXSID70291903DAA17651NSC-79004SBB023061STK347401AKOS000299211
Show more names
AKOS B024964AKOS TOT-0124ART-CHEM-BB B0249641,2,4-Triazolo[3,4-b][1,3,4]thiadiazol-6-amine,3-methyl-3-Methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylamine
CS-0047648EN300-31957D72903F4261693-methyl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoline-6-ylamine
Database identifiers
- CAS
3176-51-0- PubChem CID
- 254571
- DTXSID
DTXSID70291903- ChEMBL
CHEMBL4462996
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- 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
- risk_code
- 22
- hazard_code
- Xn
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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