Basic information
- Standard SMILES
C[C@@H]1C[C@H](c2ccncc2N)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1n1cncn1- InChIKey
IWTYSSJGZNDSFP-OSRSDYAFSA-N- Molecular formula
- C19H28N6O2
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.22737416
Names & identifiers
- Preferred name
- tert-butyl (1S,2R,3R,5S)-5-(3-aminopyridin-4-yl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)cyclohexylcarbamate
- IUPAC
- tert-butyl N-[(1S,2R,3R,5S)-5-(3-amino-4-pyridinyl)-3-methyl-2-(1,2,4-triazol-1-yl)cyclohexyl]carbamate
Names & synonyms
SCHEMBL15588704IWTYSSJGZNDSFP-OSRSDYAFSA-Ntert-butyl (1S,2R,3R,5S)-5-(3-aminopyridin-4-yl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)cyclohexylcarbamate
Database identifiers
- PubChem CID
- 86705226
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 511
Related reactions
2 records
Compound notes
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