| CAS Number | 13600-33-4 |
| Catalog Number | AG009DRP(AGN-PC-0PKRMT) |
| Chemical Name | PYRIMIDINE, 2-(1H-TETRAZOL-5-YL)- (8CI,9CI) |
| IUPAC Name | 2-(2H-tetrazol-5-yl)pyrimidine |
| InChI | InChI=1S/C5H4N6/c1-2-6-4(7-3-1)5-8-10-11-9-5/h1-3H,(H,8,9,10,11) |
| InChI Key | BXQGZGGMGJOXIP-UHFFFAOYSA-N |
| MDL Number | MFCD12093705 |
| Molecular Formula | C5H4N6 |
| Molecular Weight | 148.1255 |
| SMILES | C1=CN=C(N=C1)C2=NNN=N2 |
| Synonyms | 2-(1H-Tetrazol-5-yl)pyrimidine,
13600-33-4,
5-(pyrimidyl)tetrazole,
5-(pyrimidyl) tetrazole,
5-(Pyrimidin-2-yl)tetrazole,
SCHEMBL1554361,
CTK8G8641,
MFCD12093705,
ZINC36814639,
AKOS009823017,
Y-7045,
Pyrimidine, 2-(1H-tetrazol-5-yl)- (8CI,9CI),
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.129g/mol |
| Monoisotopic Mass | 148.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number