| CAS Number | 949285-98-7 |
| Catalog Number | AG019KZT |
| Chemical Name | 1-{[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl}piperidine-4-carboxylic acid |
| IUPAC Name | 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C10H12N6O2/c17-10(18)7-3-5-15(6-4-7)9-2-1-8-11-13-14-16(8)12-9/h1-2,7H,3-6H2,(H,17,18) |
| InChI Key | YBTWJKNOMOCPKE-UHFFFAOYSA-N |
| MDL Number | MFCD09802124 |
| Molecular Formula | C10H12N6O2 |
| Molecular Weight | 248.2413 |
| SMILES | OC(C1CCN(C2=NN3C(=NN=N3)C=C2)CC1)=O |
| Synonyms | 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxylic acid,
949285-98-7,
1-{[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl}piperidine-4-carboxylic acid,
1-tetrazolo[1,5-b]pyridazin-6-ylpiperidine-4-carboxylic acid,
AC1Q74MP,
CTK7J0065,
BBL031491,
STL162875,
ZINC12925772,
AKOS005762272,
MCULE-1707652926,
NE17572,
EN300-29199,
Z220419616,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.246g/mol |
| Monoisotopic Mass | 248.102g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number