| CAS Number | 1702034-96-5 |
| Catalog Number | AG01BS2I |
| Chemical Name | 5-methyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine |
| IUPAC Name | 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C6H10N4/c1-5-2-3-10-6(9-5)7-4-8-10/h4-5H,2-3H2,1H3,(H,7,8,9) |
| InChI Key | ASTQPMVMXNNDLE-UHFFFAOYSA-N |
| MDL Number | MFCD30536019 |
| Molecular Formula | C6H10N4 |
| Molecular Weight | 138.1704 |
| SMILES | CC1NC2N(N=CN=2)CC1 |
| Synonyms | 5-methyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine,
1702034-96-5,
AKOS034008728,
Z2740003298,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.174g/mol |
| Monoisotopic Mass | 138.091g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number