1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-
Basic information
- CAS
3458-03-5- Standard SMILES
S=c1nc(-c2cnccn2)[nH][nH]1- InChIKey
PYJDTGAKPZUJRF-UHFFFAOYSA-N- Molecular formula
- C6H5N5S
- Average molar mass
- 179.21 g/mol
- Monoisotopic mass
- 179.02656635
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-
- IUPAC
- 5-pyrazin-2-yl-1,2-dihydro-1,2,4-triazole-3-thione
- English name
- 5-(Pyrazin-2-yl)-1H-1,2,4-triazole-3-thiol
- Molecular formula
- C6H5N5S
- Molecular weight
- 179.2
Names & synonyms
3458-03-51H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-DTXSID101881265-(2-Pyrazinyl)-1H-1,2,4-triazole-3-thiolPyrazine, 2-(3-mercapto-1H-1,2,4-triazol-5-yl)-RefChem:237076DTXCID401106175-(Pyrazin-2-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione5-pyrazin-2-yl-1,2-dihydro-1,2,4-triazole-3-thione5-(2-pyrazinyl)-4H-1,2,4-triazole-3-thiolSCHEMBL5636290AKOS009359542
Show more names
5-(Pyrazin-2-yl)-1H-1,2,4-triazole-3-thiol5-(Pyrazin-2-yl)-1H-1,2,4-triazole-3(2H)-thione3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(2-pyrazinyl)-
AF-615/30368001
Database identifiers
- CAS
3458-03-5- PubChem CID
- 830137
- DTXSID
DTXSID10188126- Nikkaji
- J49.183G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
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Compound notes
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