1H-1,2,4-Triazole-3-methanol - CAS 123372-69-0
Catalog: |
BB057340 |
Product Name: |
1H-1,2,4-Triazole-3-methanol |
CAS: |
123372-69-0 |
Synonyms: |
1H-1,2,4-Triazole-3-methanol; NSC 165531 |
IUPAC Name: | 1H-1,2,4-triazol-5-ylmethanol |
Description: | 1H-1,2,4-Triazole-3-methanol is a useful synthetic intermediate. It is used to prepare heterocyclyl- substituted imidazo[1, 2- a] pyridine acid pump antagonists.It is also used to synthesize GABAA receptor agonists at the α3 subunit. |
Molecular Weight: | 99.09 |
Molecular Formula: | C3H5N3O |
Canonical SMILES: | C1=NNC(=N1)CO |
InChI: | InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6) |
InChI Key: | UDDMDSNULOKCLP-UHFFFAOYSA-N |
References: | Bailey, N., et al. Bioorg. Med. Chem. Lett., 19, 3602 (2009); Russell, M., et al. J. Med. Chem., 48, 1367 (2005). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110903255-A | Method for synthesizing 1,2, 4-triazole-3-formic acid | 20191210 |
CN-107879992-A | A kind of preparation method of (base of 1 methyl 1H [1,2,4] triazole 3) methanol | 20171223 |
CN-107879992-B | Preparation method of (1-methyl-1H- [1,2,4] triazole-3-yl) -methanol | 20171223 |
CN-110177551-A | The heterocyclic modulators of lipid synthesis | 20161111 |
JP-2016155523-A | Solid tire regeneration method | 20150226 |
CA-2969296-A1 | 2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of parg | 20141212 |
CN-107207467-A | It is used as the sulfamide derivative of 2,4 dioxo quinazoline 6 of PARG inhibitor | 20141212 |
EP-3230273-A1 | 2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of parg | 20141212 |
JP-2017537137-A | 2,4-Dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG | 20141212 |
US-10239843-B2 | 2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG | 20141212 |
Complexity: | 58.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 99.043261792 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 99.043261792 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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