| CAS Number | 1803590-28-4 |
| Catalog Number | AG01BHAN(AGN-PC-0WOQRP) |
| Chemical Name | 4,5-dimethyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylic acid |
| IUPAC Name | 4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C7H9N5O2/c1-4-5(6(13)14)3-12-7(11(4)2)8-9-10-12/h3H2,1-2H3,(H,13,14) |
| InChI Key | RPJDMORUYWPZKZ-UHFFFAOYSA-N |
| MDL Number | MFCD28139566 |
| Molecular Formula | C7H9N5O2 |
| Molecular Weight | 195.1787 |
| SMILES | CN1C2N(N=NN=2)CC(C(O)=O)=C1C |
| Synonyms | 4,5-dimethyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylic acid,
1803590-28-4,
AKOS026741267,
ZINC170619010,
Z1956828496,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.182g/mol |
| Monoisotopic Mass | 195.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number