| CAS Number | 1263378-08-0 |
| Catalog Number | AG01A03L(AGN-PC-0WO8WC) |
| Chemical Name | 5-(1H-pyrazol-1-yl)pyrazine-2-carboxylic acid |
| IUPAC Name | 5-pyrazol-1-ylpyrazine-2-carboxylic acid |
| InChI | InChI=1S/C8H6N4O2/c13-8(14)6-4-10-7(5-9-6)12-3-1-2-11-12/h1-5H,(H,13,14) |
| InChI Key | JGHABWDDTUCPLW-UHFFFAOYSA-N |
| MDL Number | MFCD18432597 |
| Molecular Formula | C8H6N4O2 |
| Molecular Weight | 190.1588 |
| SMILES | OC(C1=NC=C(N2N=CC=C2)N=C1)=O |
| Synonyms | 5-(1H-pyrazol-1-yl)pyrazine-2-carboxylic acid,
1263378-08-0,
5-PYRAZOL-1-YL-PYRAZINE-2-CARBOXYLIC ACID,
SCHEMBL10328674,
ZINC70582511,
AKOS013587049,
MCULE-5042779281,
NE61660,
RP24985,
Z1421528813,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.162g/mol |
| Monoisotopic Mass | 190.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number