| CAS Number | 1391733-65-5 |
| Catalog Number | AG00HVG5(AGN-PC-0WG4SX) |
| Chemical Name | 5-(Tert-Butoxycarbonyl)-1-Ethyl-4,5,6,7-Tetrahydro-1H-[1,2,3]Triazolo[4,5-C]Pyridine-7-Carboxylic Acid |
| IUPAC Name | 1-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid |
| InChI | InChI=1S/C13H20N4O4/c1-5-17-10-8(11(18)19)6-16(7-9(10)14-15-17)12(20)21-13(2,3)4/h8H,5-7H2,1-4H3,(H,18,19) |
| InChI Key | ICRDMQXZYFMJNL-UHFFFAOYSA-N |
| MDL Number | MFCD23378414 |
| Molecular Formula | C13H20N4O4 |
| Molecular Weight | 296.3223 |
| SMILES | CCn1nnc2CN(CC(C(O)=O)c12)C(=O)OC(C)(C)C |
| Synonyms | 1391733-65-5,
5-(tert-butoxycarbonyl)-1-ethyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid,
MFCD23378414,
AM805060,
CS-0035675,
1-Ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid,
5-(t-Butoxycarbonyl)-1-ethyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid,
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| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.327g/mol |
| Monoisotopic Mass | 296.148g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number