| CAS Number | 1311313-99-1 |
| Catalog Number | AG01AH2W |
| Chemical Name | 3-Amino-1-(5-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 3-amino-1-(5-nitropyridin-2-yl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C9H6N6O2/c10-3-6-5-14(13-9(6)11)8-2-1-7(4-12-8)15(16)17/h1-2,4-5H,(H2,11,13) |
| InChI Key | IPHNLMPIJIIEKD-UHFFFAOYSA-N |
| MDL Number | MFCD18483186 |
| Molecular Formula | C9H6N6O2 |
| Molecular Weight | 230.1829 |
| SMILES | NC1C(C#N)=CN(C2=NC=C([N+]([O-])=O)C=C2)N=1 |
| Synonyms | 3-amino-1-(5-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile,
EN300-73526,
1311313-99-1,
ZINC62151941,
NE38996,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.187g/mol |
| Monoisotopic Mass | 230.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number