| CAS Number | 1235439-30-1 |
| Catalog Number | AG01A8DV(AGN-PC-0WO91T) |
| Chemical Name | methyl 4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| IUPAC Name | methyl 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| InChI | InChI=1S/C7H10N4O2/c1-13-6(12)5-9-7-8-3-2-4-11(7)10-5/h2-4H2,1H3,(H,8,9,10) |
| InChI Key | PMZDTUQFJNEQNX-UHFFFAOYSA-N |
| MDL Number | MFCD16040020 |
| Molecular Formula | C7H10N4O2 |
| Molecular Weight | 182.1799 |
| SMILES | COC(C1=NN2C(NCCC2)=N1)=O |
| Synonyms | methyl 4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate,
1235439-30-1,
AC1Q43TI,
ZINC47843929,
AKOS023166390,
MCULE-2209756657,
NE39933,
EN300-61394,
Z992716776,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.183g/mol |
| Monoisotopic Mass | 182.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number