| CAS Number | 1365889-00-4 |
| Catalog Number | AG01DTOD(AGN-PC-0WCRCN) |
| Chemical Name | 5-(But-1-yn-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole |
| IUPAC Name | 5-but-1-ynyl-1-(oxan-2-yl)indazole |
| InChI | InChI=1S/C16H18N2O/c1-2-3-6-13-8-9-15-14(11-13)12-17-18(15)16-7-4-5-10-19-16/h8-9,11-12,16H,2,4-5,7,10H2,1H3 |
| InChI Key | FAYLJVQBPJVUKH-UHFFFAOYSA-N |
| MDL Number | MFCD28142748 |
| Molecular Formula | C16H18N2O |
| Molecular Weight | 254.3269 |
| SMILES | C(#CCC)C=1C=C2C=NN(C2=CC1)C1OCCCC1 |
| Synonyms | 5-(But-1-yn-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole,
1365889-00-4,
SCHEMBL767362,
FAYLJVQBPJVUKH-UHFFFAOYSA-N,
AKOS027422713,
CS-0062107,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.333g/mol |
| Monoisotopic Mass | 254.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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