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N-(3-nitro-2-pyridinyl)-2-pyrazinemethanamine

HCID 17845733
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=[N+]([O-])c1cccnc1NCc1cnccn1
InChIKey
BVDXLNWMRJKIID-UHFFFAOYSA-N
Molecular formula
C10H9N5O2
Average molar mass
231.21 g/mol

Names & identifiers

Preferred name
N-(3-nitro-2-pyridinyl)-2-pyrazinemethanamine
IUPAC
3-nitro-N-(pyrazin-2-ylmethyl)pyridin-2-amine

Names & synonyms

SCHEMBL9634943BVDXLNWMRJKIID-UHFFFAOYSA-NN-(3-nitro-2-pyridinyl)-2-pyrazinemethanamine

Database identifiers

PubChem CID
17845733

Properties

Computed structural propertiesFilling in

XLogP
0.9
Topological polar surface area
96.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
258

Related reactions

4 records
New reaction record
HRID 290863 reaction equation
HRID 290863As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1085857 reaction equation
HRID 1085857As productuspto-grants-1991_04
HRID 1533954 reaction equation
HRID 1533954As productuspto-grants-1992_02
HRID 1708913 reaction equation
HRID 1708913As productuspto-grants-1990_08

Compound notes

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