methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate - CAS 1094107-41-1

Name: methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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