| CAS Number | 1250240-86-8 |
| Catalog Number | AG01E981(AGN-PC-0WOCRG) |
| Chemical Name | (5-ethyl-4H-1,2,4-triazol-3-yl)methanol |
| IUPAC Name | (3-ethyl-1H-1,2,4-triazol-5-yl)methanol |
| InChI | InChI=1S/C5H9N3O/c1-2-4-6-5(3-9)8-7-4/h9H,2-3H2,1H3,(H,6,7,8) |
| InChI Key | MHPSRAZVFRZKCR-UHFFFAOYSA-N |
| MDL Number | MFCD18089096 |
| Molecular Formula | C5H9N3O |
| Molecular Weight | 127.1445 |
| SMILES | CCC1NC(CO)=NN=1 |
| Synonyms | (5-ethyl-4H-1,2,4-triazol-3-yl)methanol,
SCHEMBL7476446,
SCHEMBL18214826,
SCHEMBL19221521,
ZINC48630802,
AKOS016042748,
AKOS017417249,
MCULE-2531820797,
NE16252,
(5-ethyl-1H-1,2,4-triazol-3-yl)methanol,
Z1649677759,
1250240-86-8,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.147g/mol |
| Monoisotopic Mass | 127.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number