| CAS Number | 1369105-56-5 |
| Catalog Number | AG01B7AA |
| Chemical Name | 3H,4H,5H,6H,7H-Imidazo[4,5-c]pyridin-4-one |
| IUPAC Name | 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one |
| InChI | InChI=1S/C6H7N3O/c10-6-5-4(1-2-7-6)8-3-9-5/h3H,1-2H2,(H,7,10)(H,8,9) |
| InChI Key | WXQGEEXSJLMRKY-UHFFFAOYSA-N |
| MDL Number | MFCD22071225 |
| Molecular Formula | C6H7N3O |
| Molecular Weight | 137.1393 |
| SMILES | O=C1C2=C(N=CN2)CCN1 |
| Synonyms | 3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-one,
1369105-56-5,
SCHEMBL8343167,
ZINC82410818,
AKOS022191401,
AKOS024124483,
Z2679906821,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.142g/mol |
| Monoisotopic Mass | 137.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number