| CAS Number | 1049606-50-9 |
| Catalog Number | AG019MFD(AGN-PC-0WO4UQ) |
| Chemical Name | 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid |
| IUPAC Name | 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C8H8N4O2/c1-2-6-5(7(13)14)3-9-8-10-4-11-12(6)8/h3-4H,2H2,1H3,(H,13,14) |
| InChI Key | BFDGAVDRIIDJAB-UHFFFAOYSA-N |
| MDL Number | MFCD10686824 |
| Molecular Formula | C8H8N4O2 |
| Molecular Weight | 192.1747 |
| SMILES | CCC1N2C(=NC=N2)N=CC=1C(O)=O |
| Synonyms | 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid,
1049606-50-9,
7-ethyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid,
AC1Q2SUE,
CTK6D0791,
ZINC20283164,
AKOS023166382,
MCULE-7155587665,
NE18555,
EN300-36018,
Z367678478,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.178g/mol |
| Monoisotopic Mass | 192.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number