1-Isopropyl-1H-1,2,3-triazole-4-carboxylic acid - CAS 1249780-66-2
Catalog: |
BB006033 |
Product Name: |
1-Isopropyl-1H-1,2,3-triazole-4-carboxylic acid |
CAS: |
1249780-66-2 |
Synonyms: |
1-propan-2-yltriazole-4-carboxylic acid |
IUPAC Name: | 1-propan-2-yltriazole-4-carboxylic acid |
Description: | 1-Isopropyl-1H-1,2,3-triazole-4-carboxylic Acid can be used as hepatitis C inhibitors to use in medicine. |
Molecular Weight: | 155.15 |
Molecular Formula: | C6H9N3O2 |
Canonical SMILES: | CC(C)N1C=C(N=N1)C(=O)O |
InChI: | InChI=1S/C6H9N3O2/c1-4(2)9-3-5(6(10)11)7-8-9/h3-4H,1-2H3,(H,10,11) |
InChI Key: | RUKMIOZCNDLJKL-UHFFFAOYSA-N |
LogP: | 0.55720 |
Publication Number | Title | Priority Date |
WO-2016127859-A1 | Compounds as hepatitis c inhibitors and uses thereof in medicine | 20150213 |
EP-3677579-A1 | Heterocyclic gls1 inhibitors | 20140703 |
US-2011028461-A1 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | 20080404 |
US-8501786-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | 20080404 |
BR-PI0821266-B1 | triazole-substituted arylamide derivatives and their use and pharmaceutical composition | 20071217 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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