methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate - CAS 1094107-41-1
Catalog: |
BB002457 |
Product Name: |
methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate |
CAS: |
1094107-41-1 |
Synonyms: |
2-amino-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid methyl ester; methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate |
IUPAC Name: | methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate |
Description: | methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CAS# 1094107-41-1) is a versatile building block used in synthesis of pharmaceuticals. It is used as a reactant in the preparation of dipeptide analogs as coagulation factor inhibitors. |
Molecular Weight: | 192.178 |
Molecular Formula: | C8H8N4O2 |
Canonical SMILES: | COC(=O)C1=CN2C(=NC(=N2)N)C=C1 |
InChI: | InChI=1S/C8H8N4O2/c1-14-7(13)5-2-3-6-10-8(9)11-12(6)4-5/h2-4H,1H3,(H2,9,11) |
InChI Key: | GSJSEKQHYSMYEF-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 0.02820 |
Publication Number | Title | Priority Date |
WO-2021170046-A1 | Tyk-2 inhibitor | 20200226 |
WO-2020010252-A1 | Fused ring compound having urea structure | 20180705 |
TW-202019902-A | Fused ring compound with urea structure | 20180705 |
AU-2019297453-A1 | Fused ring compound having urea structure | 20180705 |
CN-112654608-A | Condensed ring compounds having urea structure | 20180705 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.06472551 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.06472551 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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