8-Chloro-1,2,4-triazolo[4,3-a]pyrazine - CAS 68774-77-6

Catalog:	BB033630
Product Name:	8-Chloro-1,2,4-triazolo[4,3-a]pyrazine
CAS:	68774-77-6
Synonyms:	8-chloro-[1,2,4]triazolo[4,3-a]pyrazine

Technical Data

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Computed Properties

IUPAC Name:	8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
Description:	8-Chloro-1,2,4-triazolo[4,3-a]pyrazine (CAS# 68774-77-6) is a useful research chemical.
Molecular Weight:	154.56
Molecular Formula:	C5H3ClN4
Canonical SMILES:	C1=CN2C=NN=C2C(=N1)Cl
InChI:	InChI=1S/C5H3ClN4/c6-4-5-9-8-3-10(5)2-1-7-4/h1-3H
InChI Key:	VKZJRJVVFDDJKP-UHFFFAOYSA-N
Purity:	95 %
Density:	1.716 g/cm³
Appearance:	Solid
MDL:	MFCD08272086
LogP:	0.77770

Publication Number	Title	Priority Date
WO-2021058595-A1	Herbicidal compounds	20190924
WO-2020163193-A1	Bicyclic ether o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20190204
TW-202045501-A	Bicyclic ether o-glycoprotein-2-acetamido-2-de oxy-3-d-glucopyranosidase inhibitors	20190204
TW-201927756-A	Integrating stress pathway regulator	20171102
EP-3710428-A1	Modulators of the integrated stress pathway	20171102

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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

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.0046238
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.0046238
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1