| CAS Number | 1803610-10-7 |
| Catalog Number | AG01AD02 |
| Chemical Name | 3-(Thiophen-3-ylmethyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride |
| IUPAC Name | 3-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride |
| InChI | InChI=1S/C10H12N4S.ClH/c1-4-15-7-8(1)5-9-12-13-10-6-11-2-3-14(9)10;/h1,4,7,11H,2-3,5-6H2;1H |
| InChI Key | MQFMCQCRFNTZFZ-UHFFFAOYSA-N |
| MDL Number | MFCD26936201 |
| Molecular Formula | C10H13ClN4S |
| Molecular Weight | 256.7550 |
| SMILES | Cl.C(C1N2C(CNCC2)=NN=1)C1=CSC=C1 |
| Synonyms | 3-(thiophen-3-ylmethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride,
1803610-10-7,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.752g/mol |
| Monoisotopic Mass | 256.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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