| CAS Number | 1152506-17-6 |
| Catalog Number | AG01A93C |
| Chemical Name | 5-(Naphthalen-2-yl)-1,2,4-triazin-3-amine |
| IUPAC Name | 5-naphthalen-2-yl-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C13H10N4/c14-13-16-12(8-15-17-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,16,17) |
| InChI Key | SIJNFZWBLZMXDV-UHFFFAOYSA-N |
| MDL Number | MFCD11101844 |
| Molecular Formula | C13H10N4 |
| Molecular Weight | 222.2453 |
| SMILES | NC1=NC(C2=CC3=C(C=CC=C3)C=C2)=CN=N1 |
| Synonyms | 5-(naphthalen-2-yl)-1,2,4-triazin-3-amine,
1152506-17-6,
AC1Q52KP,
SCHEMBL3399073,
ZINC34959341,
AKOS008121676,
MCULE-7121921957,
NE20919,
EN300-64072,
Z993967226,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.251g/mol |
| Monoisotopic Mass | 222.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number