3-(Trifluoromethyl)-3,4-dihydropyrido[2,1-c][1,2,4,5]oxatriazin-3-ol
Basic information
- CAS
79343-88-7- Standard SMILES
OC1(C(F)(F)F)NN2C=CC=CC2=NO1- InChIKey
YAVGWSGLXWWCAX-UHFFFAOYSA-N- Molecular formula
- C7H6F3N3O2
- Average molar mass
- 221.14 g/mol
- Monoisotopic mass
- 221.04121093
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)-3,4-dihydropyrido[2,1-c][1,2,4,5]oxatriazin-3-ol
- IUPAC
- 3-(trifluoromethyl)-4H-pyrido[2,1-c][1,2,4,5]oxatriazin-3-ol
Names & synonyms
79343-88-7NSC375964DTXSID703214513-(Trifluoromethyl)-3,4-dihydropyrido[2,1-c][1,2,4,5]oxatriazin-3-olNSC-375964
Database identifiers
- CAS
79343-88-7- PubChem CID
- 341855
- DTXSID
DTXSID70321451
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 363
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Compound notes
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