| CAS Number | 1251924-66-9 |
| Catalog Number | AG01A9I5(AGN-PC-0WO7UV) |
| Chemical Name | 2-amino-5-ethyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one |
| IUPAC Name | 2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one |
| InChI | InChI=1S/C7H9N5O/c1-2-4-3-5(13)12-7(9-4)10-6(8)11-12/h3H,2H2,1H3,(H3,8,9,10,11) |
| InChI Key | TTZGWBGIWYZODB-UHFFFAOYSA-N |
| MDL Number | MFCD16817409 |
| Molecular Formula | C7H9N5O |
| Molecular Weight | 179.1793 |
| SMILES | CCC1N=C2N(N=C(N2)N)C(=O)C=1 |
| Synonyms | 2-amino-5-ethyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one,
1251924-66-9,
AC1Q2T81,
SCHEMBL19194473,
AKOS011997597,
AKOS026728643,
ZINC100615657,
MCULE-6000543736,
NE21835,
EN300-65166,
Z1262327425,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.183g/mol |
| Monoisotopic Mass | 179.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number