Basic information
- CAS
7498-27-3- Standard SMILES
Clc1ncnc2c1nnn2N=Cc1ccccc1- InChIKey
GGSKZXBVILSGNK-UHFFFAOYSA-N- Molecular formula
- C11H7ClN6
- Average molar mass
- 258.67 g/mol
- Monoisotopic mass
- 258.0420719
Names & identifiers
- Preferred name
- N-(7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-1-phenylmethanimine
- IUPAC
- N-(7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-1-phenylmethanimine
Database identifiers
- CAS
7498-27-3- PubChem CID
- 348231
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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