| CAS Number | 1248069-25-1 |
| Catalog Number | AG01C5M8 |
| Chemical Name | 3-(cyclopropylmethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine |
| IUPAC Name | 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine |
| InChI | InChI=1S/C9H14N4/c1-2-7(1)5-8-11-12-9-6-10-3-4-13(8)9/h7,10H,1-6H2 |
| InChI Key | AAXTYPXCNICSEB-UHFFFAOYSA-N |
| MDL Number | MFCD16807194 |
| Molecular Formula | C9H14N4 |
| Molecular Weight | 178.2343 |
| SMILES | C(C1N2C(CNCC2)=NN=1)C1CC1 |
| Synonyms | 3-(cyclopropylmethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine,
1248069-25-1,
ZINC53709935,
AKOS011878319,
Z2465620125,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.239g/mol |
| Monoisotopic Mass | 178.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number