| CAS Number | 1520504-89-5 |
| Catalog Number | AG01AC1H |
| Chemical Name | (Pyridin-4-yl)(4H-1,2,4-triazol-3-yl)methanol |
| IUPAC Name | pyridin-4-yl(1H-1,2,4-triazol-5-yl)methanol |
| InChI | InChI=1S/C8H8N4O/c13-7(8-10-5-11-12-8)6-1-3-9-4-2-6/h1-5,7,13H,(H,10,11,12) |
| InChI Key | JSBCCVUKDHBGFR-UHFFFAOYSA-N |
| MDL Number | MFCD30476053 |
| Molecular Formula | C8H8N4O |
| Molecular Weight | 176.1753 |
| SMILES | OC(C1=CC=NC=C1)C1NC=NN=1 |
| Synonyms | (pyridin-4-yl)(4H-1,2,4-triazol-3-yl)methanol,
1520504-89-5,
AKOS023107296,
Z2689031666,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.179g/mol |
| Monoisotopic Mass | 176.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number