[6-(4-chlorophenoxy)pyrazin-2-yl]methanamine

C11H10ClN3O — CID 66450817

IUPAC[6-(4-chlorophenoxy)pyrazin-2-yl]methanamine
SMILESNCc1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O/c12-8-1-3-10(4-2-8)16-11-7-14-6-9(5-13)15-11/h1-4,6-7H,5,13H2
InChIKeyFIXYWSCHJVJYBU-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.38
Rot. Bonds3

About [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine

[6-(4-chlorophenoxy)pyrazin-2-yl]methanamine (PubChem CID 66450817) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[6-(4-chlorophenoxy)pyrazin-2-yl]methanamine
PubChem CID66450817
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name[6-(4-chlorophenoxy)pyrazin-2-yl]methanamine
SMILESNCc1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O/c12-8-1-3-10(4-2-8)16-11-7-14-6-9(5-13)15-11/h1-4,6-7H,5,13H2
InChIKeyFIXYWSCHJVJYBU-UHFFFAOYSA-N
XLogP2.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine (CID 66450817) is [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine is NCc1cncc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine?
The InChIKey is FIXYWSCHJVJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-8-1-3-10(4-2-8)16-11-7-14-6-9(5-13)15-11/h1-4,6-7H,5,13H2.
What are the key properties of [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine?
[6-(4-chlorophenoxy)pyrazin-2-yl]methanamine has a molecular weight of 235.67 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 66450817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).