| CAS Number | 25381-41-3 |
| Catalog Number | AG00I4UG(AGN-PC-0NCNQW) |
| Chemical Name | PYRIDO[3,4-D]PYRIDAZIN-1(2H)-ONE |
| IUPAC Name | 2H-pyrido[3,4-d]pyridazin-1-one |
| InChI | InChI=1S/C7H5N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h1-4H,(H,10,11) |
| InChI Key | LVWFGUZOHQWWFU-UHFFFAOYSA-N |
| MDL Number | MFCD18253741 |
| Molecular Formula | C7H5N3O |
| Molecular Weight | 147.1341 |
| SMILES | O=C1C2=C(C=NC=C2)C=NN1 |
| Synonyms | PYRIDO[3,4-D]PYRIDAZIN-1(2H)-ONE,
25381-41-3,
pyrido[3,4-d]pyridazin-1-ol,
CHEMBL3769521,
SCHEMBL2952488,
DTXSID00447956,
LVWFGUZOHQWWFU-UHFFFAOYSA-N,
BDBM50150024,
MFCD18253741,
ZINC20984662,
AS-42424,
FT-0764522,
CID10909714,
4,8,9-triazabicyclo[4.4.0]deca-2,4,7,11-tetraen-10-one,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.137g/mol |
| Monoisotopic Mass | 147.043g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number