| CAS Number | 893727-27-0 |
| Catalog Number | AG01A0R5 |
| Chemical Name | 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| IUPAC Name | 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C16H16N6OS/c1-11-2-4-13(5-3-11)22-15(12-6-8-18-9-7-12)20-21-16(22)24-10-14(23)19-17/h2-9H,10,17H2,1H3,(H,19,23) |
| InChI Key | FCXFYZDTMJIPDA-UHFFFAOYSA-N |
| MDL Number | MFCD07364337 |
| Molecular Formula | C16H16N6OS |
| Molecular Weight | 340.4028 |
| SMILES | CC1=CC=C(N2C(C3=CC=NC=C3)=NN=C2SCC(NN)=O)C=C1 |
| Synonyms | 2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893727-27-0,
SBB040782,
ZINC36724766,
AKOS000268992,
MCULE-4959560579,
NE19940,
EN300-110792,
(5-Pyridin-4-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid hydrazide,
2-[4-(4-methylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetohydrazide,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.405g/mol |
| Monoisotopic Mass | 340.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number