| CAS Number | 2031269-23-3 |
| Catalog Number | AG01B7EV |
| Chemical Name | 5H,6H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-ylmethanol |
| IUPAC Name | 5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-ylmethanol |
| InChI | InChI=1S/C7H11N3O2/c11-5-7-9-8-6-1-3-12-4-2-10(6)7/h11H,1-5H2 |
| InChI Key | CHMIIDAKGWNKAF-UHFFFAOYSA-N |
| MDL Number | MFCD30345299 |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.1811 |
| SMILES | OCC1N2C(CCOCC2)=NN=1 |
| Synonyms | {5H,6H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-yl}methanol,
2031269-23-3,
AKOS033960607,
ZINC521399395,
Z2630879624,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.184g/mol |
| Monoisotopic Mass | 169.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number