| CAS Number | 1464837-83-9 |
| Catalog Number | AG01AFPT(AGN-PC-0WO36Z) |
| Chemical Name | 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-1-methyl-1H-1,2,4-triazole |
| IUPAC Name | 5-[(4-bromopyrazol-1-yl)methyl]-1-methyl-1,2,4-triazole |
| InChI | InChI=1S/C7H8BrN5/c1-12-7(9-5-11-12)4-13-3-6(8)2-10-13/h2-3,5H,4H2,1H3 |
| InChI Key | UQRBADZWAMVMIN-UHFFFAOYSA-N |
| MDL Number | MFCD21269070 |
| Molecular Formula | C7H8BrN5 |
| Molecular Weight | 242.0759 |
| SMILES | CN1C(CN2N=CC(Br)=C2)=NC=N1 |
| Synonyms | 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-1-methyl-1H-1,2,4-triazole,
1464837-83-9,
ZINC83974777,
AKOS014953388,
NE49360,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.08g/mol |
| Monoisotopic Mass | 240.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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