[1,2,3]Triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid, 6,7-dihydro-3-(4-methoxyphenyl)-, 1,1-dimethylethyl ester
Basic information
- CAS
1305336-10-0- Standard SMILES
COc1ccc(-c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)cc1- InChIKey
FUHAHOVHYWHUSB-UHFFFAOYSA-N- Molecular formula
- C17H22N4O3
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.16919058
Names & identifiers
- Preferred name
- [1,2,3]Triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid, 6,7-dihydro-3-(4-methoxyphenyl)-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 3-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
Names & synonyms
DTXSID601108160[1,2,3]Triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid, 6,7-dihydro-3-(4-methoxyphenyl)-, 1,1-dimethylethyl ester1305336-10-0
Database identifiers
- CAS
1305336-10-0- PubChem CID
- 165367378
- DTXSID
DTXSID601108160
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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