| CAS Number | 942025-97-0 |
| Catalog Number | AG01A00P |
| Chemical Name | 3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)pyridine |
| IUPAC Name | 3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pyridine |
| InChI | InChI=1S/C13H16N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h4,7-10H,1-3,5-6H2,(H,15,16,17) |
| InChI Key | CKSUQPRNBBIFGA-UHFFFAOYSA-N |
| MDL Number | MFCD13431560 |
| Molecular Formula | C13H16N4 |
| Molecular Weight | 228.2929 |
| SMILES | C1CCC(C2N=C(C3=CN=CC=C3)NN=2)CC1 |
| Synonyms | 3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)pyridine,
942025-97-0,
STL442013,
ZINC33435932,
AKOS005228373,
AKOS010594431,
MCULE-3537232890,
NE23399,
RP27762,
3-(5-cyclohexyl-4H-1,2,4-triazol-3-yl)pyridine,
3-(5-Cyclohexyl-2H-[1,2,4]triazol-3-yl)-pyridine,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.299g/mol |
| Monoisotopic Mass | 228.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number