| CAS Number | 1094385-23-5 |
| Catalog Number | AG01A7SF(AGN-PC-0WOAHV) |
| Chemical Name | 5-(2,5-Dimethylphenyl)-1,2,4-triazin-3-amine |
| IUPAC Name | 5-(2,5-dimethylphenyl)-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C11H12N4/c1-7-3-4-8(2)9(5-7)10-6-13-15-11(12)14-10/h3-6H,1-2H3,(H2,12,14,15) |
| InChI Key | KWYRHLSNZNSWBJ-UHFFFAOYSA-N |
| MDL Number | MFCD11134076 |
| Molecular Formula | C11H12N4 |
| Molecular Weight | 200.2398 |
| SMILES | CC1=CC(C2=NC(N)=NN=C2)=C(C)C=C1 |
| Synonyms | 5-(2,5-dimethylphenyl)-1,2,4-triazin-3-amine,
1094385-23-5,
AC1Q2GSD,
SCHEMBL3398943,
CTK6B6921,
ZINC36722151,
AKOS008121678,
MCULE-5025709698,
NE22317,
EN300-59670,
Z1262246182,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.245g/mol |
| Monoisotopic Mass | 200.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number