| CAS Number | 1803585-36-5 |
| Catalog Number | AG01B81A |
| Chemical Name | 1-{5,7-dimethyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one |
| IUPAC Name | 1-(5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl)ethanone |
| InChI | InChI=1S/C8H11N5O/c1-4-7(6(3)14)5(2)13-8(9-4)10-11-12-13/h5H,1-3H3,(H,9,10,12) |
| InChI Key | QVJRWPYRFBQJNQ-UHFFFAOYSA-N |
| MDL Number | MFCD08048935 |
| Molecular Formula | C8H11N5O |
| Molecular Weight | 193.2058 |
| SMILES | CC1N2C(=NN=N2)NC(C)=C1C(C)=O |
| Synonyms | 1-{5,7-dimethyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}ethan-1-one,
1803585-36-5,
AKOS033714907,
Z1983080128,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.09636g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.21g/mol |
| Monoisotopic Mass | 193.09636g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.7Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number