3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic Acid - CAS 1031619-88-1
Catalog: |
BB001032 |
Product Name: |
3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic Acid |
CAS: |
1031619-88-1 |
Synonyms: |
3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid; 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
IUPAC Name: | 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
Description: | 3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic Acid (CAS# 1031619-88-1) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | CC1=NN=C2N1C=C(C=C2)C(=O)O |
InChI: | InChI=1S/C8H7N3O2/c1-5-9-10-7-3-2-6(8(12)13)4-11(5)7/h2-4H,1H3,(H,12,13) |
InChI Key: | SHYXTVRNKAUFPL-UHFFFAOYSA-N |
MDL: | MFCD07376944 |
LogP: | 0.73590 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 20190321 |
WO-2019183587-A1 | Compounds and uses thereof | 20180323 |
AU-2019238326-A1 | Compounds and uses thereof | 20180323 |
BR-112020019191-A2 | COMPOUNDS AND THEIR USES | 20180323 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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