2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethanol - CAS 52497-33-3
Catalog: |
BB027848 |
Product Name: |
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethanol |
CAS: |
52497-33-3 |
Synonyms: |
2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanol |
IUPAC Name: | 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanol |
Description: | 2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethanol (CAS# 52497-33-3) is a useful research chemical. |
Molecular Weight: | 141.17 |
Molecular Formula: | C6H11N3O |
Canonical SMILES: | CC1=NN(C(=N1)C)CCO |
InChI: | InChI=1S/C6H11N3O/c1-5-7-6(2)9(8-5)3-4-10/h10H,3-4H2,1-2H3 |
InChI Key: | AUQNRKJSLNRCKH-UHFFFAOYSA-N |
Boiling Point: | 333.6 ℃ at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD10686576 |
LogP: | -0.11280 |
Publication Number | Title | Priority Date |
EP-3626699-A1 | Ssao inhibitor | 20170620 |
US-2020115352-A1 | Ssao inhibitor | 20170620 |
US-11001563-B2 | SSAO inhibitor | 20170620 |
EP-2401276-B1 | Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors | 20090226 |
WO-9722596-A1 | Quinazoline derivatives | 19951218 |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.090211983 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.090211983 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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