| CAS Number | 1421601-17-3 |
| Catalog Number | AG01E8FA(AGN-PC-0WO7K1) |
| Chemical Name | 5-chloro-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one |
| IUPAC Name | 5-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one |
| InChI | InChI=1S/C5H3ClN4O/c6-3-1-7-2-4-8-9-5(11)10(3)4/h1-2H,(H,9,11) |
| InChI Key | SJKKQNWFYONCAP-UHFFFAOYSA-N |
| MDL Number | MFCD22392167 |
| Molecular Formula | C5H3ClN4O |
| Molecular Weight | 170.5565 |
| SMILES | ClC1N2C(=NNC2=O)C=NC=1 |
| Synonyms | 5-chloro-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one,
5-Chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol,
1421601-17-3,
5-Chloro-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one,
ZINC82163859,
AKOS019745457,
AKOS026728533,
MCULE-7347835843,
NE29853,
N/A,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.556g/mol |
| Monoisotopic Mass | 170g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 57.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number