| CAS Number | 1235441-22-1 |
| Catalog Number | AG01A83A |
| Chemical Name | N-(2-Aminoethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine dihydrochloride |
| IUPAC Name | N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine;dihydrochloride |
| InChI | InChI=1S/C8H12N6.2ClH/c1-6-4-7(10-3-2-9)14-8(13-6)11-5-12-14;;/h4-5,10H,2-3,9H2,1H3;2*1H |
| InChI Key | FFIRVCAHXKJFGC-UHFFFAOYSA-N |
| MDL Number | MFCD15209598 |
| Molecular Formula | C8H14Cl2N6 |
| Molecular Weight | 265.1430 |
| SMILES | Cl.Cl.CC1=NC2N(N=CN=2)C(NCCN)=C1 |
| Synonyms | N-(2-aminoethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine dihydrochloride,
1235441-22-1,
N1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}ethane-1,2-diamine dihydrochloride,
AC1Q3A8O,
CTK7E8943,
AKOS008090826,
MCULE-8331593173,
NE26080,
EN300-60620,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.142g/mol |
| Monoisotopic Mass | 264.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number