3-Butyl-7-chlorotriazolo[4,5-d]pyrimidin-5-amine
Basic information
- CAS
92307-09-0- Standard SMILES
CCCCn1nnc2c(Cl)nc(N)nc21- InChIKey
IAKCQDDMOJOUNE-UHFFFAOYSA-N- Molecular formula
- C8H11ClN6
- Average molar mass
- 226.67 g/mol
- Monoisotopic mass
- 226.0733721
Names & identifiers
- Preferred name
- 3-Butyl-7-chlorotriazolo[4,5-d]pyrimidin-5-amine
- IUPAC
- 3-butyl-7-chlorotriazolo[4,5-d]pyrimidin-5-amine
Names & synonyms
92307-09-03-butyl-7-chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine3-butyl-7-chlorotriazolo[4,5-d]pyrimidin-5-amineNSC34453DTXSID00283952NSC 34453NSC-34453
Database identifiers
- CAS
92307-09-0- PubChem CID
- 234483
- DTXSID
DTXSID00283952
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…