Basic information
- CAS
4734-27-4- Standard SMILES
CSc1n[nH]c(N)n1.CSc1nc2nc(C)c(CCO)c(=O)n2[nH]1- InChIKey
GYAQCPVYDHAICQ-UHFFFAOYSA-N- Molecular formula
- C12H18N8O2S2
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.09941419
Names & identifiers
- Preferred name
- (1,2,4)Triazolo(1,5-a)pyrimidine-6-ethanol, 7-hydroxy-5-methyl-2-(methylthio)-, compd. with 5-(methylthio)-1H-1,2,4-triazol-3-amine (1:1)
- IUPAC
- 6-(2-hydroxyethyl)-5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;3-methylsulfanyl-1H-1,2,4-triazol-5-amine
Names & synonyms
EINECS 225-242-64734-27-4DTXSID40635877-Hydroxy-6-(2-hydroxyethyl)-5-methyl-2-(methylthio)-(1,2,4)triazolo(1,5-a)pyrimidine, 2-amino-5-methylthio-1H-triazole salt (1:1)RefChem:391246DTXCID9040558DTXSID502757616-(2-Hydroxyethyl)-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one--3-(methylsulfanyl)-1H-1,2,4-triazol-5-amine (1/1)6-(2-Hydroxyethyl)-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol--5-(methylsulfanyl)-4H-1,2,4-triazol-3-amine (1/1)7-Hydroxy-5-methyl-2-(methylthio)-s-triazolo(1,5-a)pyrimidine-6-ethanol, compound with 3-amino-5-(methylthio)-s-triazole (1:1)
Database identifiers
- CAS
4734-27-4、50346-47-9- PubChem CID
- 78469
- DTXSID
DTXSID50275761- EC Number
- 225-242-6
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,2,4]Triazolo[1,5-a]pyrimidine-6-ethanol, 7-hydroxy-5-methyl-2-(methylthio)-, compd. with 5-(methylthio)-1H-1,2,4-triazol-3-amine (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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