| CAS Number | 1252608-59-5 |
| Catalog Number | AG01EOKH(AGN-PC-3H46F0) |
| Chemical Name | GIBH-130 |
| IUPAC Name | (4-methyl-6-phenylpyridazin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone |
| InChI | InChI=1S/C20H20N6O/c1-15-14-17(16-6-3-2-4-7-16)23-24-18(15)19(27)25-10-12-26(13-11-25)20-21-8-5-9-22-20/h2-9,14H,10-13H2,1H3 |
| InChI Key | ZTJHTEHADIHZJS-UHFFFAOYSA-N |
| MDL Number | MFCD31544336 |
| Molecular Formula | C20H20N6O |
| Molecular Weight | 360.4124 |
| SMILES | CC1=C(N=NC(=C1)C1=CC=CC=C1)C(=O)N1CCN(CC1)C1=NC=CC=N1 |
| Synonyms | (4-methyl-6-phenylpyridazin-3-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone,
GIBH-130,
GIBH-130,
1252608-59-5,
GIBH 130,
GIBH130,
SCHEMBL15256971,
CS-7583,
HY-101860,
AK00792994,
|
| Complexity | 483 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.421g/mol |
| Monoisotopic Mass | 360.17g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number