| CAS Number | 1094454-72-4 |
| Catalog Number | AG01A92X(AGN-PC-0WO491) |
| Chemical Name | 5-(5-methylthiophen-2-yl)-1,2,4-triazin-3-amine |
| IUPAC Name | 5-(5-methylthiophen-2-yl)-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C8H8N4S/c1-5-2-3-7(13-5)6-4-10-12-8(9)11-6/h2-4H,1H3,(H2,9,11,12) |
| InChI Key | PQYVQFLKKBYRBS-UHFFFAOYSA-N |
| MDL Number | MFCD11134123 |
| Molecular Formula | C8H8N4S |
| Molecular Weight | 192.2409 |
| SMILES | CC1SC(C2=NC(N)=NN=C2)=CC=1 |
| Synonyms | 5-(5-methylthiophen-2-yl)-1,2,4-triazin-3-amine,
1094454-72-4,
AC1Q2N06,
ZINC36722193,
AKOS009292343,
MCULE-3789120477,
NE58184,
EN300-64052,
Z993967218,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.24g/mol |
| Monoisotopic Mass | 192.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number