Basic information
- CAS
87866-19-1- Standard SMILES
CSc1nc(N)c2n[nH]nc2n1- InChIKey
WPLZVUBPBZYUIV-UHFFFAOYSA-N- Molecular formula
- C5H6N6S
- Average molar mass
- 182.21 g/mol
- Monoisotopic mass
- 182.03746539
Names & identifiers
- Preferred name
- 1H-v-Triazolo(4,5-d)pyrimidine, 7-amino-5-(methylthio)-
- IUPAC
- 5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidin-7-amine
Names & synonyms
87866-19-11H-v-Triazolo(4,5-d)pyrimidine, 7-amino-5-(methylthio)-DTXSID70236672RefChem:1058572DTXCID001591632-Methylthio-6-amino-8-azapurineBRN 55241115-(Methylthio)-2H-1,2,3-triazolo(4,5-d)pyrimidin-7-amine93886-72-72H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine, 5-(methylthio)-5-(Methylthio)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine90687-17-5
Show more names
7-Amino-5-(methylthio)-1H-v-triazolo(4,5-d)pyrimidine5-(methylsulfanyl)-2h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine4H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine, 5-(methylthio)-2-(methylthio)-8-azaadenineSCHEMBL30730966NSC133120NSC 133120NSC-133120
Database identifiers
- CAS
87866-19-1、90687-17-5- PubChem CID
- 97578
- DTXSID
DTXSID70236672
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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