| CAS Number | 1285256-32-7 |
| Catalog Number | AG01BEKD |
| Chemical Name | 5-amino-1-(4-methylpyridin-2-yl)-3-(methylsulfanyl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-amino-1-(4-methylpyridin-2-yl)-3-methylsulfanylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C11H11N5S/c1-7-3-4-14-9(5-7)16-10(13)8(6-12)11(15-16)17-2/h3-5H,13H2,1-2H3 |
| InChI Key | KXRQWTUFFGANOW-UHFFFAOYSA-N |
| MDL Number | MFCD16519094 |
| Molecular Formula | C11H11N5S |
| Molecular Weight | 245.3035 |
| SMILES | CSC1C(C#N)=C(N)N(C2=NC=CC(C)=C2)N=1 |
| Synonyms | 5-amino-1-(4-methylpyridin-2-yl)-3-(methylsulfanyl)-1H-pyrazole-4-carbonitrile,
1285256-32-7,
ZINC43671328,
AKOS011003315,
NE59131,
ABA-5738410,
EN300-182353,
Z2194170443,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.304g/mol |
| Monoisotopic Mass | 245.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number