| CAS Number | 1706448-39-6 |
| Catalog Number | AG01AQ6C(AGN-PC-0WCNF0) |
| Chemical Name | 8-amino-1,7-naphthyridine-5-carbonitrile |
| IUPAC Name | 8-amino-1,7-naphthyridine-5-carbonitrile |
| InChI | InChI=1S/C9H6N4/c10-4-6-5-13-9(11)8-7(6)2-1-3-12-8/h1-3,5H,(H2,11,13) |
| InChI Key | AHAJNWJIBXEBCD-UHFFFAOYSA-N |
| MDL Number | MFCD28125844 |
| Molecular Formula | C9H6N4 |
| Molecular Weight | 170.1707 |
| SMILES | NC1=C2C(C=CC=N2)=C(C#N)C=N1 |
| Synonyms | 8-amino-1,7-naphthyridine-5-carbonitrile,
1706448-39-6,
AKOS024618872,
ZINC169726329,
F1957-0151,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.175g/mol |
| Monoisotopic Mass | 170.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number