| CAS Number | 55211-75-1 |
| Catalog Number | AG01EJ06(AGN-PC-0OC76E) |
| Chemical Name | 6-methyl-1H,2H,3H-pyrazolo[1,5-a]imidazole |
| IUPAC Name | 6-methyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole |
| InChI | InChI=1S/C6H9N3/c1-5-4-6-7-2-3-9(6)8-5/h4,7H,2-3H2,1H3 |
| InChI Key | ZPBDVKXZYOMZLC-UHFFFAOYSA-N |
| MDL Number | MFCD19221541 |
| Molecular Formula | C6H9N3 |
| Molecular Weight | 123.1558 |
| SMILES | CC1=NN2C(NCC2)=C1 |
| Synonyms | 55211-75-1,
1H-Imidazo[1,2-b]pyrazole, 2,3-dihydro-6-methyl-,
SCHEMBL798855,
ELLANOVALABS A8-1732,
CTK1E2693,
DTXSID90480115,
ZINC84236305,
AKOS006359708,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.159g/mol |
| Monoisotopic Mass | 123.08g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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