4-(6-Bromo-2-cyclopropyl-1,3-benzodiazol-1-yl)-1,3,5-triazin-2-amine
Basic information
- Standard SMILES
Nc1ncnc(-n2c(C3CC3)nc3ccc(Br)cc32)n1- InChIKey
WOZZBXZFZSUBLD-UHFFFAOYSA-N- Molecular formula
- C13H11BrN6
- Average molar mass
- 331.17 g/mol
Names & identifiers
- Preferred name
- 4-(6-Bromo-2-cyclopropyl-1,3-benzodiazol-1-yl)-1,3,5-triazin-2-amine
- IUPAC
- 4-(6-bromo-2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazin-2-amine
Names & synonyms
SCHEMBL11970464WOZZBXZFZSUBLD-UHFFFAOYSA-N4-(6-bromo-2-cyclopropyl-1,3-benzodiazol-1-yl)-1,3,5-triazin-2-amine
Database identifiers
- PubChem CID
- 68181576
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
2 records
Compound notes
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