Basic information
- CAS
5457-92-1- Standard SMILES
CCn1nnc2c(Cl)nc(N)nc21- InChIKey
DTOBYQFBYWOFFC-UHFFFAOYSA-N- Molecular formula
- C6H7ClN6
- Average molar mass
- 198.61 g/mol
- Monoisotopic mass
- 198.0420719
Names & identifiers
- Preferred name
- 7-Chloro-3-ethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
- IUPAC
- 7-chloro-3-ethyltriazolo[4,5-d]pyrimidin-5-amine
Names & synonyms
7-chloro-3-ethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine5457-92-1NSC23908SCHEMBL14511040DTXSID50282031NSC-23908Triazolo[4,5-d]pyrimidine, 3H-v-, 5-amino-7-chloro-3-ethyl-
Database identifiers
- CAS
5457-92-1- PubChem CID
- 229864
- DTXSID
DTXSID50282031
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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