| CAS Number | 1100598-49-9 |
| Catalog Number | AG01E80G(AGN-PC-0WOSS4) |
| Chemical Name | 6-(1-methyl-1H-pyrazol-4-yl)-2,3-dihydropyridazin-3-one |
| IUPAC Name | 3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one |
| InChI | InChI=1S/C8H8N4O/c1-12-5-6(4-9-12)7-2-3-8(13)11-10-7/h2-5H,1H3,(H,11,13) |
| InChI Key | RRXNTXQNCPCZIZ-UHFFFAOYSA-N |
| MDL Number | MFCD16109164 |
| Molecular Formula | C8H8N4O |
| Molecular Weight | 176.1753 |
| SMILES | CN1N=CC(C2=NNC(=O)C=C2)=C1 |
| Synonyms | 1100598-49-9,
6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3(2H)-one,
6-(1-methyl-1H-pyrazol-4-yl)-2,3-dihydropyridazin-3-one,
SCHEMBL2348250,
RRXNTXQNCPCZIZ-UHFFFAOYSA-N,
MFCD16109164,
ZINC44496871,
AKOS011066541,
NE15943,
AS-48671,
DA-15590,
FT-0738191,
6-(1-methyl-1H-pyrazol-4-yl)-2H-pyridazin-3-one,
Z1901070660,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.179g/mol |
| Monoisotopic Mass | 176.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number