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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2C1C(O)C1CC1- InChIKey
UKBKTCQIRULBJL-UHFFFAOYSA-N- Molecular formula
- C15H21F3N4O3
- Average molar mass
- 362.35 g/mol
- Monoisotopic mass
- 362.15657503
Names & identifiers
- Preferred name
- [7-N-(tert-Butoxycarbonyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazin-8-yl](cyclopropyl)methanol
- IUPAC
- tert-butyl 8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
Names & synonyms
[7-N-(tert-Butoxycarbonyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazin-8-yl](cyclopropyl)methanolSCHEMBL5233907
Database identifiers
- PubChem CID
- 69364591
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 521
Related reactions
3 records
Compound notes
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