| CAS Number | 1016750-18-7 |
| Catalog Number | AG01AHL6 |
| Chemical Name | 5-(3-methyl-2-nitrophenyl)-1H-1,2,4-triazol-3-amine |
| IUPAC Name | 5-(3-methyl-2-nitrophenyl)-1H-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C9H9N5O2/c1-5-3-2-4-6(7(5)14(15)16)8-11-9(10)13-12-8/h2-4H,1H3,(H3,10,11,12,13) |
| InChI Key | BLDZYNXIMPVEAI-UHFFFAOYSA-N |
| MDL Number | MFCD26143764 |
| Molecular Formula | C9H9N5O2 |
| Molecular Weight | 219.2001 |
| SMILES | CC1=C([N+]([O-])=O)C(C2NN=C(N)N=2)=CC=C1 |
| Synonyms | 5-(3-methyl-2-nitrophenyl)-1H-1,2,4-triazol-3-amine,
1016750-18-7,
CTK5I1884,
ZINC19405330,
AKOS000162358,
AKOS008101143,
AKOS030703434,
MCULE-3706351199,
NE55058,
EN300-75087,
3-(3-methyl-2-nitrophenyl)-1H-1,2,4-triazol-5-amine,
Z1267773777,
5-(3-METHYL-2-NITROPHENYL)-4H-1,2,4-TRIAZOL-3-AMINE,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.204g/mol |
| Monoisotopic Mass | 219.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number