| CAS Number | 1707371-84-3 |
| Catalog Number | AG01DMEM |
| Chemical Name | 3-amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 3-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C9H12N4O/c10-5-7-6-13(12-9(7)11)8-1-3-14-4-2-8/h6,8H,1-4H2,(H2,11,12) |
| InChI Key | UPDDXPORUHXSCL-UHFFFAOYSA-N |
| MDL Number | MFCD26129040 |
| Molecular Formula | C9H12N4O |
| Molecular Weight | 192.2178 |
| SMILES | N#CC1=CN(C2CCOCC2)N=C1N |
| Synonyms | 3-Amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile,
1707371-84-3,
ZINC96510419,
AKOS027334459,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.222g/mol |
| Monoisotopic Mass | 192.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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