2-Amino-5-cyanopyrazine - CAS 113305-94-5

Catalog:	BB003156
Product Name:	2-Amino-5-cyanopyrazine
CAS:	113305-94-5
Synonyms:	5-amino-2-pyrazinecarbonitrile; 5-aminopyrazine-2-carbonitrile

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Computed Properties

IUPAC Name:	5-aminopyrazine-2-carbonitrile
Description:	2-Amino-5-cyanopyrazine (CAS# 113305-94-5) is a useful research chemical.
Molecular Weight:	120.11
Molecular Formula:	C5H4N4
Canonical SMILES:	C1=C(N=CC(=N1)N)C#N
InChI:	InChI=1S/C5H4N4/c6-1-4-2-9-5(7)3-8-4/h2-3H,(H2,7,9)
InChI Key:	VYANAPRTDDQFJY-UHFFFAOYSA-N
Boiling Point:	366.752 °C at 760 mmHg
Density:	1.34 g/cm³
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD08234954
LogP:	0.51168

Publication Number	Title	Priority Date
WO-2021207210-A1	Methods for synthesis of chk1 inhibitors	20200407
CN-112457306-A	3, 5-disubstituted pyrazole compounds as kinase inhibitors and application thereof	20190906
WO-2021043208-A1	3, 5-disubstituted pyrazole compounds as kinase inhibitors and uses thereof	20190906
WO-2021019514-A1	Heterocyclic compounds as kinase inhibitor and uses thereof	20190801
WO-2021012018-A1	Inhibitor compounds	20190724

PMID	Publication Date	Title	Journal
22111927	20111222	Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing	Journal of medicinal chemistry

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Related Functional Groups

Nitrogen Compounds

[62838-59-9]
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[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.043596145
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	120.043596145
Rotatable Bond Count:	0
Topological Polar Surface Area:	75.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4