Pyrazine - CAS 290-37-9

Catalog:	BB020058
Product Name:	Pyrazine
CAS:	290-37-9
Synonyms:	pyrazine

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Computed Properties

IUPAC Name:	pyrazine
Description:	Pyrazine is a heterocyclic aromatic organic compound.
Molecular Weight:	80.09
Molecular Formula:	C4H4N2
Canonical SMILES:	C1=CN=CC=N1
InChI:	InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
InChI Key:	KYQCOXFCLRTKLS-UHFFFAOYSA-N
Boiling Point:	115-116 °C (lit.)
Melting Point:	50-56 °C (lit.)
Purity:	> 95 %
Density:	1.031 g/mL at 25 °C(lit.)
Solubility:	2.181e+005 mg/L at 25 °C (est)
Appearance:	White to yellow powder
MDL:	MFCD00006122
LogP:	0.47660

Publication Number	Title	Priority Date
US-2016237090-A1	Novel pyrazine compounds for the treatment of infectious diseases	20150116
US-2015361100-A1	Indolizine derivatives as phoshoinositide 3-kinases inhibitors	20140617
WO-2015193263-A1	Indolizine derivatives as phoshoinositide 3-kinases inhibitors	20140617
WO-2015140110-A1	Organic optoelectronic apparatus	20140321
EP-2910561-A1	Sialic acid derivatives	20140225

PMID	Publication Date	Title	Journal
34478170	20211101	First case of DRESS (drug reaction with eosinophilia and systemic symptoms) associated with voxelotor	American journal of hematology
34153224	20210825	Functional assessment of the effects of CYP3A4 variants on acalabrutinib metabolism in vitro	Chemico-biological interactions
34081466	20210624	Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor	Journal of medicinal chemistry
33524445	20210301	Chemical mitochondrial uncouplers share common inhibitory effect on NLRP3 inflammasome activation through inhibiting NFκB nuclear translocation	Toxicology and applied pharmacology
33273059	20210201	AZD0364 Is a Potent and Selective ERK1/2 Inhibitor That Enhances Antitumor Activity in KRAS-Mutant Tumor Models when Combined with the MEK Inhibitor, Selumetinib	Molecular cancer therapeutics

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GHS Hazard Statement:	H225 (48.47%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H228 (43.56%): Flammable solid [Danger Flammable solids]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	26.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	80.03744813600001
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	80.03744813600001
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2