| CAS Number | 1391733-22-4 |
| Catalog Number | AG00HVFR(AGN-PC-0WG4SZ) |
| Chemical Name | 5-(tert-Butoxycarbonyl)-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid |
| IUPAC Name | 1-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-7-carboxylic acid |
| InChI | InChI=1S/C15H22N4O4/c1-15(2,3)23-14(22)18-7-10(13(20)21)12-11(8-18)16-17-19(12)6-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,20,21) |
| InChI Key | UENUOWXITKKJCJ-UHFFFAOYSA-N |
| MDL Number | MFCD23378417 |
| Molecular Formula | C15H22N4O4 |
| Molecular Weight | 322.3596 |
| SMILES | CC(C)(C)OC(=O)N1CC(C(O)=O)c2c(C1)nnn2CC1CC1 |
| Synonyms | 5-(tert-butoxycarbonyl)-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid,
1391733-22-4,
MFCD23378417,
AM804889,
CS-0037661,
5-(t-Butoxycarbonyl)-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.365g/mol |
| Monoisotopic Mass | 322.164g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number