3-Benzyl-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidine
Basic information
- CAS
58950-28-0- Standard SMILES
C1=NCc2nnn(Cc3ccccc3)c2N1- InChIKey
FMGJMXYNPRYGDY-UHFFFAOYSA-N- Molecular formula
- C11H11N5
- Average molar mass
- 213.24 g/mol
- Monoisotopic mass
- 213.10144537
Names & identifiers
- Preferred name
- 3-Benzyl-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidine
- IUPAC
- 3-benzyl-4,7-dihydrotriazolo[4,5-d]pyrimidine
Names & synonyms
58950-28-0NSC281302DTXSID604232313-Benzyl-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidineNSC-281302
Database identifiers
- CAS
58950-28-0- PubChem CID
- 322897
- DTXSID
DTXSID60423231
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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