| CAS Number | 881845-15-4 |
| Catalog Number | AG01A1J6(AGN-PC-00AY0C) |
| Chemical Name | (4-Methyl-5-Phenyl-4H-1,2,4-Triazol-3-Yl)Methanol |
| IUPAC Name | (4-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol |
| InChI | InChI=1S/C10H11N3O/c1-13-9(7-14)11-12-10(13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3 |
| InChI Key | VRKWWEQIJSSGKX-UHFFFAOYSA-N |
| MDL Number | MFCD11844932 |
| Molecular Formula | C10H11N3O |
| Molecular Weight | 189.2138 |
| SMILES | CN1C(C2=CC=CC=C2)=NN=C1CO |
| Synonyms | (4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)methanol,
881845-15-4,
4-methyl-5-phenyl-4H-1,2,4-triazol-3-ylmethanol,
SCHEMBL3648972,
VRKWWEQIJSSGKX-UHFFFAOYSA-N,
MFCD11844932,
ZINC75844693,
AKOS017516771,
MCULE-5635895913,
NE37823,
AS-48504,
CID11528485,
(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.218g/mol |
| Monoisotopic Mass | 189.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number