| CAS Number | 502686-00-2 |
| Catalog Number | AG01A9UJ(AGN-PC-0KRZG4) |
| Chemical Name | 3-(naphthalen-2-yl)-1H-1,2,4-triazol-5-amine |
| IUPAC Name | 5-naphthalen-2-yl-1H-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C12H10N4/c13-12-14-11(15-16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,13,14,15,16) |
| InChI Key | OIRAFYCODYLUIQ-UHFFFAOYSA-N |
| MDL Number | MFCD16817457 |
| Molecular Formula | C12H10N4 |
| Molecular Weight | 210.2346 |
| SMILES | NC1NN=C(C2=CC3=C(C=CC=C3)C=C2)N=1 |
| Synonyms | 3-(naphthalen-2-yl)-1H-1,2,4-triazol-5-amine,
502686-00-2,
AC1MN6A5,
AC1Q52NQ,
5-naphthalen-2-yl-1H-1,2,4-triazol-3-amine,
CTK7E1400,
ZINC3723275,
AKOS000157444,
AKOS008101043,
MCULE-4364582767,
NE33853,
EN300-66203,
Z234896619,
5-(NAPHTHALEN-2-YL)-4H-1,2,4-TRIAZOL-3-AMINE,
CID3297261,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.24g/mol |
| Monoisotopic Mass | 210.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number