Basic information
- CAS
14054-48-9- Standard SMILES
Clc1ncnc2c1nnn2C1CCCC1- InChIKey
ZHNRULMQNWCVAI-UHFFFAOYSA-N- Molecular formula
- C9H10ClN5
- Average molar mass
- 223.66 g/mol
- Monoisotopic mass
- 223.062473
Names & identifiers
- Preferred name
- 7-chloro-3-cyclopentyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
- IUPAC
- 7-chloro-3-cyclopentyltriazolo[4,5-d]pyrimidine
Names & synonyms
14054-48-97-chloro-3-cyclopentyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine6-Chloro-8-aza-9-cyclopentylpurineNSC112537NSC 112537DTXSID501614383H-v-Triazolo(4,5-d)pyrimidine, 7-chloro-3-cyclopentyl- (8CI)NSC-112537DS-0048283H-v-Triazolo[4, 7-chloro-3-cyclopentyl-EN300-15822943H-v-Triazolo(4,5-d)pyrimidine, 7-chloro-3-cyclopentyl-
Show more names
3H-1,2,3-Triazolo(4,5-d)pyrimidine, 7-chloro-3-cyclopentyl-3H-1,3-Triazolo[4,5-d]pyrimidine, 7-chloro-3-cyclopentyl-3H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDINE,7-CHLORO-3-CYCLOPENTYL-
Database identifiers
- CAS
14054-48-9- PubChem CID
- 97290
- DTXSID
DTXSID50161438
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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