2-Amino-3-cyano-5-chloromethylpyrazine 1-oxide

C₆H₅ClN₄OCAS 40127-89-7184.58 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile Primary amine

Properties

Molecular formula: C₆H₅ClN₄O
Molar mass: 184.58 g/mol
Exact mass: 184.0152 Da
logP: -0.09Crippen estimate
Polar surface area: 89.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

40127-89-7

SMILES

N#Cc1nc(CCl)c[n+]([O-])c1N

InChIKey

MOTPZQHCPMUIMZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN4O/c7-1-4-3-11(12)6(9)5(2-8)10-4/h3H,1,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

2-Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide
Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide
3-Amino-6-chloromethyl-2-(pyrazin-4-oxide)carbonitrile
2-Amino-5-(chloromethyl)pyrazine-3-carbonitrile 1-oxide
3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide

Work with 2-Amino-3-cyano-5-chloromethylpyrazine 1-oxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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