| CAS Number | 1394645-71-6 |
| Catalog Number | AG00KGH2(AGN-PC-0WO958) |
| Chemical Name | 3-methoxy-5H,6H,7H,8H-pyrido[4,3-c]pyridazine |
| IUPAC Name | 3-methoxy-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine |
| InChI | InChI=1S/C8H11N3O/c1-12-8-4-6-5-9-3-2-7(6)10-11-8/h4,9H,2-3,5H2,1H3 |
| InChI Key | PSUFGKQHPOTKRY-UHFFFAOYSA-N |
| MDL Number | MFCD22392245 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.1924 |
| SMILES | COC1=CC2=C(N=N1)CCNC2 |
| Synonyms | 3-methoxy-5H,6H,7H,8H-pyrido[4,3-c]pyridazine,
1394645-71-6,
ZINC78758682,
AKOS026706438,
MCULE-9820153782,
F1907-0599,
Z1436472855,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.196g/mol |
| Monoisotopic Mass | 165.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number