| CAS Number | 1428960-81-9 |
| Catalog Number | AG00IL1P(AGN-PC-0WAZZN) |
| Chemical Name | 5-bromo-N-methyl-N-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)pyridi |
| IUPAC Name | 5-bromo-N-methyl-N-(1-methyltetrazol-5-yl)pyridin-2-amine |
| InChI | InChI=1S/C8H9BrN6/c1-14(8-11-12-13-15(8)2)7-4-3-6(9)5-10-7/h3-5H,1-2H3 |
| InChI Key | IQFWMZPKKXTNEM-UHFFFAOYSA-N |
| MDL Number | MFCD28502695 |
| Molecular Formula | C8H9BrN6 |
| Molecular Weight | 269.1013 |
| SMILES | CN1N=NN=C1N(C)C2=NC=C(Br)C=C2 |
| Synonyms | 1428960-81-9,
5-bromo-N-methyl-N-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)pyridin-2-amine,
5-Bromo-N-methyl-N-(1-methyl-1H-tetrazol-5-yl)pyridin-2-amine,
5-bromo-N-methyl-N-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)pyridi,
SCHEMBL14839414,
IQFWMZPKKXTNEM-UHFFFAOYSA-N,
KS-000008AH,
MFCD28502695,
AKOS027337198,
ZINC218454057,
GS-5750,
CS-0050561,
5-bromo-N-methyl-N-(1-methyltetrazol-5-yl)pyridin-2-amine,
5-bromo-N-methyl-N-(1-methyl-1H-tetrazol-5-yl)pyridine-2-amine,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.106g/mol |
| Monoisotopic Mass | 268.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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