| CAS Number | 1453187-13-7 |
| Catalog Number | AG01DJ5M |
| Chemical Name | 8-(1-Methylethyl)-2-[(1-methyl-4-piperidinyl)oxy]pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one |
| IUPAC Name | 2-(1-methylpiperidin-4-yl)oxy-8-propan-2-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one |
| InChI | InChI=1S/C14H21N5O2/c1-9(2)11-8-15-19-12(11)16-13(17-14(19)20)21-10-4-6-18(3)7-5-10/h8-10H,4-7H2,1-3H3,(H,16,17,20) |
| InChI Key | JSYMMQWYOYDHFL-UHFFFAOYSA-N |
| MDL Number | MFCD30471866 |
| Molecular Formula | C14H21N5O2 |
| Molecular Weight | 291.3488 |
| SMILES | O=C2NC(OC3CCN(C)CC3)=NC1=C(C(C)C)C=NN12 |
| Synonyms | 8-Isopropyl-2-((1-methylpiperidin-4-yl)oxy)pyrazolo[1,5-a][1,3,5]triazin-4-ol,
1453187-13-7,
SCHEMBL15226189,
MFCD30471866,
ZINC498050516,
CS-0039409,
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| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.355g/mol |
| Monoisotopic Mass | 291.17g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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