[6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine

C11H9Cl2N3O — CID 66451005

IUPAC[6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine
SMILESNCc1cncc(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3O/c12-7-1-2-9(13)10(3-7)17-11-6-15-5-8(4-14)16-11/h1-3,5-6H,4,14H2
InChIKeyHTEYQPDPBXWSTO-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.03
Rot. Bonds3

About [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine

[6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine (PubChem CID 66451005) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine
PubChem CID66451005
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name[6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine
SMILESNCc1cncc(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3O/c12-7-1-2-9(13)10(3-7)17-11-6-15-5-8(4-14)16-11/h1-3,5-6H,4,14H2
InChIKeyHTEYQPDPBXWSTO-UHFFFAOYSA-N
XLogP3.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine (CID 66451005) is [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine is NCc1cncc(Oc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine?
The InChIKey is HTEYQPDPBXWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-7-1-2-9(13)10(3-7)17-11-6-15-5-8(4-14)16-11/h1-3,5-6H,4,14H2.
What are the key properties of [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine?
[6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine has a molecular weight of 270.12 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 66451005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).