4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline

C17H15N3O — CID 126475202

IUPAC4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline
SMILESCOc1ccc(-c2cncc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C17H15N3O/c1-21-15-8-4-13(5-9-15)17-11-19-10-16(20-17)12-2-6-14(18)7-3-12/h2-11H,18H2,1H3
InChIKeyBWSOIKNKUXYEBZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.40
Rot. Bonds3

About 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline

4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline (PubChem CID 126475202) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline.

Molecular Properties

Compound Name4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline
PubChem CID126475202
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline
SMILESCOc1ccc(-c2cncc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C17H15N3O/c1-21-15-8-4-13(5-9-15)17-11-19-10-16(20-17)12-2-6-14(18)7-3-12/h2-11H,18H2,1H3
InChIKeyBWSOIKNKUXYEBZ-UHFFFAOYSA-N
XLogP3.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline?
The IUPAC name of 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline (CID 126475202) is 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline.
What is the SMILES notation for 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline?
The canonical SMILES for 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline is COc1ccc(-c2cncc(-c3ccc(N)cc3)n2)cc1.
What is the InChIKey of 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline?
The InChIKey is BWSOIKNKUXYEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-15-8-4-13(5-9-15)17-11-19-10-16(20-17)12-2-6-14(18)7-3-12/h2-11H,18H2,1H3.
What are the key properties of 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline?
4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline has a molecular weight of 277.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxyphenyl)pyrazin-2-yl]aniline is sourced from PubChem (CID 126475202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).