| CAS Number | 1159554-19-4 |
| Catalog Number | AG019T5H(AGN-PC-0WO2RF) |
| Chemical Name | 3-(2-methylpropyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine |
| IUPAC Name | 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine |
| InChI | InChI=1S/C9H16N4/c1-7(2)5-8-11-12-9-6-10-3-4-13(8)9/h7,10H,3-6H2,1-2H3 |
| InChI Key | YDGYOONMGVOMSY-UHFFFAOYSA-N |
| MDL Number | MFCD11856728 |
| Molecular Formula | C9H16N4 |
| Molecular Weight | 180.2501 |
| SMILES | CC(CC1N2C(CNCC2)=NN=1)C |
| Synonyms | 3-(2-methylpropyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine,
1159554-19-4,
SCHEMBL18359402,
ZINC53709441,
AKOS011878127,
MCULE-4104532661,
NE35681,
Z1318147532,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.255g/mol |
| Monoisotopic Mass | 180.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number