| CAS Number | 1251924-54-5 |
| Catalog Number | AG01A9XA(AGN-PC-0WO7VD) |
| Chemical Name | 1-(5-amino-4H-1,2,4-triazol-3-yl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C8H13N5O2/c9-7-10-8(12-11-7)13-3-1-5(2-4-13)6(14)15/h5H,1-4H2,(H,14,15)(H3,9,10,11,12) |
| InChI Key | RBOXDPNEPJIQKC-UHFFFAOYSA-N |
| MDL Number | MFCD16817481 |
| Molecular Formula | C8H13N5O2 |
| Molecular Weight | 211.2211 |
| SMILES | NC1NC(N2CCC(C(O)=O)CC2)=NN=1 |
| Synonyms | 1-(5-amino-4H-1,2,4-triazol-3-yl)piperidine-4-carboxylic acid,
1251924-54-5,
AC1Q534B,
SCHEMBL16825689,
ZINC57218498,
AKOS026728655,
MCULE-7228061986,
NE49999,
EN300-66440,
Z1172115969,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.225g/mol |
| Monoisotopic Mass | 211.107g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number