| CAS Number | 1904611-63-7 |
| Catalog Number | AG01EOF4(AGN-PC-3H46CG) |
| Chemical Name | PDE1-IN-2 |
| IUPAC Name | 6-bromo-7-(cyclopentylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one |
| InChI | InChI=1S/C16H21BrN4O2/c17-13-10-21-14(12-5-7-23-8-6-12)18-19-15(21)16(22)20(13)9-11-3-1-2-4-11/h10-12H,1-9H2 |
| InChI Key | UDLAXUPVISWZSI-UHFFFAOYSA-N |
| MDL Number | MFCD30738016 |
| Molecular Formula | C16H21BrN4O2 |
| Molecular Weight | 381.2675 |
| SMILES | C12=NN=C(C3CCOCC3)N1C=C(Br)N(CC1CCCC1)C2=O |
| Synonyms | PDE1-IN-2,
1904611-63-7,
SCHEMBL17674898,
ZINC616581106,
CS-6381,
HY-101490,
|
| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.274g/mol |
| Monoisotopic Mass | 380.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number