| CAS Number | 1018144-12-1 |
| Catalog Number | AG019DBX(AGN-PC-0WBC3J) |
| Chemical Name | 6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
| IUPAC Name | 6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
| InChI | InChI=1S/C7H6N4O2/c1-4-2-8-7-9-5(6(12)13)10-11(7)3-4/h2-3H,1H3,(H,12,13) |
| InChI Key | JKMCNFGPCAFLOJ-UHFFFAOYSA-N |
| MDL Number | MFCD09701872 |
| Molecular Formula | C7H6N4O2 |
| Molecular Weight | 178.1481 |
| SMILES | CC1=CN2C(=NC(C(O)=O)=N2)N=C1 |
| Synonyms | 1018144-12-1,
6-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid,
6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid,
MFCD09701872,
SBB025373,
STK352316,
ZINC12397096,
AKOS005168280,
MCULE-9982823913,
EN300-92656,
6-methyl-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.151g/mol |
| Monoisotopic Mass | 178.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number