| CAS Number | 1391732-98-1 |
| Catalog Number | AG00HVFH(AGN-PC-0WG4T1) |
| Chemical Name | 5-tert-Butyl 7-methyl 1-ethyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5,7(4H)-dicarboxylate |
| IUPAC Name | 5-O-tert-butyl 7-O-methyl 1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5,7-dicarboxylate |
| InChI | InChI=1S/C14H22N4O4/c1-6-18-11-9(12(19)21-5)7-17(8-10(11)15-16-18)13(20)22-14(2,3)4/h9H,6-8H2,1-5H3 |
| InChI Key | ZXYISKBNCFRHMO-UHFFFAOYSA-N |
| MDL Number | MFCD23378422 |
| Molecular Formula | C14H22N4O4 |
| Molecular Weight | 310.3489 |
| SMILES | CCn1nnc2CN(CC(C(=O)OC)c12)C(=O)OC(C)(C)C |
| Synonyms | 5-tert-butyl 7-methyl 1-ethyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5,7(4H)-dicarboxylate,
1391732-98-1,
MFCD23378422,
AKOS027429280,
AM804957,
CS-0038317,
5-O-tert-Butyl 7-O-methyl 1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5,7-dicarboxylate,
5-t-Butyl 7-methyl 1-ethyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridine-5,7(4H)-dicarboxylate,
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| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.354g/mol |
| Monoisotopic Mass | 310.164g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number