| CAS Number | 923283-55-0 |
| Catalog Number | AG0067Q3(AGN-PC-0ON61L) |
| Chemical Name | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 2,6-dihydro-2-methyl- |
| IUPAC Name | 2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one |
| InChI | InChI=1S/C6H6N4O/c1-10-2-4-5(9-10)6(11)8-3-7-4/h2-3H,1H3,(H,7,8,11) |
| InChI Key | NCNHKGZVJKQTMB-UHFFFAOYSA-N |
| MDL Number | MFCD16619751 |
| Molecular Formula | C6H6N4O |
| Molecular Weight | 150.1380 |
| SMILES | CN1N=C2C(N=CNC2=O)=C1 |
| Synonyms | 923283-55-0,
2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-ol,
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 2,6-dihydro-2-methyl-,
SCHEMBL7062655,
SCHEMBL12725088,
CTK3F9226,
DTXSID80595025,
ZINC90504903,
AKOS026741942,
AKOS030559787,
NE54889,
2-Methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one,
2-Methyl-2,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.141g/mol |
| Monoisotopic Mass | 150.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
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