| CAS Number | 1249222-34-1 |
| Catalog Number | AG01BCPJ(AGN-PC-0WOVTE) |
| Chemical Name | {6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methanamine |
| IUPAC Name | (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine |
| InChI | InChI=1S/C7H9N5/c1-5-2-3-6-9-10-7(4-8)12(6)11-5/h2-3H,4,8H2,1H3 |
| InChI Key | CLNUBFPYCZSOLZ-UHFFFAOYSA-N |
| MDL Number | MFCD16169048 |
| Molecular Formula | C7H9N5 |
| Molecular Weight | 163.1799 |
| SMILES | CC1=NN2C(=NN=C2CN)C=C1 |
| Synonyms | 1249222-34-1,
{6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methanamine,
1-{6-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL}METHANAMINE,
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine,
ZINC50194437,
AKOS011320361,
MCULE-1533607706,
NE53461,
CS-0080904,
Z1815155448,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.184g/mol |
| Monoisotopic Mass | 163.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number