2-Hydroxypyrazine - CAS 6270-63-9

Catalog:	BB031746
Product Name:	2-Hydroxypyrazine
CAS:	6270-63-9
Synonyms:	1H-pyrazin-2-one

Technical Data

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Computed Properties

IUPAC Name:	1H-pyrazin-2-one
Description:	2-Hydroxypyrazine (CAS# 6270-63-9 ) is a useful research chemical.
Molecular Weight:	96.09
Molecular Formula:	C4H4N2O
Canonical SMILES:	C1=CN=CC(=O)N1
InChI:	InChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
InChI Key:	HUTNOYOBQPAKIA-UHFFFAOYSA-N
Melting Point:	185-186 °C
Purity:	98 %
Density:	1.28 g/cm³
MDL:	MFCD00233966
LogP:	0.18220

Publication Number	Title	Priority Date
WO-2015200843-A1	Inhibitors of lysine specific demethylase-1	20140627
WO-2015171627-A1	Stabilized imidazophenanthridine materials	20140508
WO-2015166366-A1	Heterocyclic compounds and their use as dopamine d1 ligands	20140428
WO-2015166370-A1	Heteroaromatic compounds and their use as dopamine d1 ligands	20140428
US-2015307494-A1	Heteroaromatic compounds and their use as dopamine d1 ligands	20140425

PMID	Publication Date	Title	Journal
32717614	20200915	The discovery and evaluation of 3-amino-2(1H)-pyrazinones as a novel series of selective p38α MAP kinase inhibitors	Bioorganic & medicinal chemistry letters
23517538	20140313	Achiral pyrazinone-based inhibitors of the hepatitis C virus NS3 protease and drug-resistant variants with elongated substituents directed toward the S2 pocket	Journal of medicinal chemistry
23070851	20121105	Heterologous expression and structural characterisation of a pyrazinone natural product assembly line	Chembiochem : a European journal of chemical biology
22589890	20120401	1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one	Acta crystallographica. Section E, Structure reports online
22590043	20120401	4-[3,4-Dimethyl-1-(4-methyl-phen-yl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-3,4-dimethyl-1-(4-methyl-phen-yl)-4,5-dihydro-1H-pyrazol-5-one	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.032362755
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	96.032362755
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.5