| CAS Number | 92306-69-9 |
| Catalog Number | AG01ANAD(AGN-PC-0VZ2GH) |
| Chemical Name | 4-(1H-1,2,3,4-Tetrazol-5-Yl)Pyrimidine |
| IUPAC Name | 4-(2H-tetrazol-5-yl)pyrimidine |
| InChI | InChI=1S/C5H4N6/c1-2-6-3-7-4(1)5-8-10-11-9-5/h1-3H,(H,8,9,10,11) |
| InChI Key | TYYLJWSPZRCEFT-UHFFFAOYSA-N |
| MDL Number | MFCD19626414 |
| Molecular Formula | C5H4N6 |
| Molecular Weight | 148.1255 |
| SMILES | C1(C2=NN=NN2)=NC=NC=C1 |
| Synonyms | 92306-69-9,
4-(1H-1,2,3,4-tetrazol-5-yl)pyrimidine,
SCHEMBL6244400,
4-(1H-Tetrazol-5-yl)pyrimidine,
ZINC39052703,
AKOS013305634,
4-(2H-1,2,3,4-tetrazol-5-yl)pyrimidine,
Z2230911301,
Pyrimidine,4-tetrazol-5-yl-,
Pyrimidine, 4-tetrazol-5-yl- (7CI),
|
| Complexity | 128 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number