| CAS Number | 126583-28-6 |
| Catalog Number | AG01BIFE(AGN-PC-0JRHEG) |
| Chemical Name | 5-amino-1-(pyridin-2-yl)-2,3-dihydro-1H-pyrazol-3-one |
| IUPAC Name | 3-amino-2-pyridin-2-yl-1H-pyrazol-5-one |
| InChI | InChI=1S/C8H8N4O/c9-6-5-8(13)11-12(6)7-3-1-2-4-10-7/h1-5H,9H2,(H,11,13) |
| InChI Key | RKYMKZBWOFGDLO-UHFFFAOYSA-N |
| MDL Number | MFCD28364790 |
| Molecular Formula | C8H8N4O |
| Molecular Weight | 176.1753 |
| SMILES | NC1N(C2=NC=CC=C2)NC(=O)C=1 |
| Synonyms | 5-Amino-1-(2-pyridyl)-1,2-dihydropyrazol-3-one,
126583-28-6,
5-amino-1-(pyridin-2-yl)-1H-pyrazol-3-ol,
Kinome_3245,
AC1LA0QS,
SCHEMBL6643900,
CHEMBL1995765,
RKYMKZBWOFGDLO-UHFFFAOYSA-N,
5-Amino-1-2-pyridyl-3-pyrazolol,
ZINC5940839,
5-amino-1-(2-pyridyl)pyrazol-3-ol,
AKOS010514569,
3-amino-2-pyridin-2-yl-1H-pyrazol-5-one,
Z2830704556,
5-Amino-1-(pyridin-2-yl)-2,3-dihydro-1H-pyrazol-3-one,
AIDS020493,
CID459567,
|
| Complexity | 251 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.179g/mol |
| Monoisotopic Mass | 176.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number