| CAS Number | 923183-58-8 |
| Catalog Number | AG019LNP(AGN-PC-0WOB0Y) |
| Chemical Name | 1-(piperazin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-one |
| IUPAC Name | 1-piperazin-1-yl-2-(tetrazol-1-yl)ethanone |
| InChI | InChI=1S/C7H12N6O/c14-7(5-13-6-9-10-11-13)12-3-1-8-2-4-12/h6,8H,1-5H2 |
| InChI Key | XVQGLWIQXHSHLQ-UHFFFAOYSA-N |
| MDL Number | MFCD08444708 |
| Molecular Formula | C7H12N6O |
| Molecular Weight | 196.2098 |
| SMILES | O=C(N1CCNCC1)CN1N=NN=C1 |
| Synonyms | 1-(1H-tetrazol-1-ylacetyl)piperazine,
923183-58-8,
1-(piperazin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-one,
AC1Q5HG1,
SCHEMBL1901376,
CTK7G3557,
XVQGLWIQXHSHLQ-UHFFFAOYSA-N,
MFCD08444708,
ZINC13013675,
AKOS000189409,
MCULE-9803986994,
NE24892,
4-(2-tetrazol-1-yl-acetyl)-piperazine,
1-piperazin-1-yl-2-tetrazol-1-yl-ethanone,
EN300-31890,
1-(piperazin-1-yl)-2-(1H-tetrazol-1-yl)ethanone,
Z228587196,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.214g/mol |
| Monoisotopic Mass | 196.107g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number