3-[6-(4-methylphenyl)pyrazin-2-yl]aniline

C17H15N3 — CID 126474004

IUPAC3-[6-(4-methylphenyl)pyrazin-2-yl]aniline
SMILESCc1ccc(-c2cncc(-c3cccc(N)c3)n2)cc1
InChIInChI=1S/C17H15N3/c1-12-5-7-13(8-6-12)16-10-19-11-17(20-16)14-3-2-4-15(18)9-14/h2-11H,18H2,1H3
InChIKeyQVEMELFHMLJGHF-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.70
Rot. Bonds2

About 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline

3-[6-(4-methylphenyl)pyrazin-2-yl]aniline (PubChem CID 126474004) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline.

Molecular Properties

Compound Name3-[6-(4-methylphenyl)pyrazin-2-yl]aniline
PubChem CID126474004
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name3-[6-(4-methylphenyl)pyrazin-2-yl]aniline
SMILESCc1ccc(-c2cncc(-c3cccc(N)c3)n2)cc1
InChIInChI=1S/C17H15N3/c1-12-5-7-13(8-6-12)16-10-19-11-17(20-16)14-3-2-4-15(18)9-14/h2-11H,18H2,1H3
InChIKeyQVEMELFHMLJGHF-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline?
The IUPAC name of 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline (CID 126474004) is 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline.
What is the SMILES notation for 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline?
The canonical SMILES for 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline is Cc1ccc(-c2cncc(-c3cccc(N)c3)n2)cc1.
What is the InChIKey of 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline?
The InChIKey is QVEMELFHMLJGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-12-5-7-13(8-6-12)16-10-19-11-17(20-16)14-3-2-4-15(18)9-14/h2-11H,18H2,1H3.
What are the key properties of 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline?
3-[6-(4-methylphenyl)pyrazin-2-yl]aniline has a molecular weight of 261.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylphenyl)pyrazin-2-yl]aniline is sourced from PubChem (CID 126474004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).