3-methyl-5-pyrazin-2-ylaniline

C11H11N3 — CID 107579564

IUPAC3-methyl-5-pyrazin-2-ylaniline
SMILESCc1cc(N)cc(-c2cnccn2)c1
InChIInChI=1S/C11H11N3/c1-8-4-9(6-10(12)5-8)11-7-13-2-3-14-11/h2-7H,12H2,1H3
InChIKeyICKPTSZQXLSYQF-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.03
Rot. Bonds1

About 3-methyl-5-pyrazin-2-ylaniline

3-methyl-5-pyrazin-2-ylaniline (PubChem CID 107579564) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-methyl-5-pyrazin-2-ylaniline.

Molecular Properties

Compound Name3-methyl-5-pyrazin-2-ylaniline
PubChem CID107579564
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-methyl-5-pyrazin-2-ylaniline
SMILESCc1cc(N)cc(-c2cnccn2)c1
InChIInChI=1S/C11H11N3/c1-8-4-9(6-10(12)5-8)11-7-13-2-3-14-11/h2-7H,12H2,1H3
InChIKeyICKPTSZQXLSYQF-UHFFFAOYSA-N
XLogP2.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.03
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-methyl-5-pyrazin-2-ylaniline?
The IUPAC name of 3-methyl-5-pyrazin-2-ylaniline (CID 107579564) is 3-methyl-5-pyrazin-2-ylaniline.
What is the SMILES notation for 3-methyl-5-pyrazin-2-ylaniline?
The canonical SMILES for 3-methyl-5-pyrazin-2-ylaniline is Cc1cc(N)cc(-c2cnccn2)c1.
What is the InChIKey of 3-methyl-5-pyrazin-2-ylaniline?
The InChIKey is ICKPTSZQXLSYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-4-9(6-10(12)5-8)11-7-13-2-3-14-11/h2-7H,12H2,1H3.
What are the key properties of 3-methyl-5-pyrazin-2-ylaniline?
3-methyl-5-pyrazin-2-ylaniline has a molecular weight of 185.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyrazin-2-ylaniline is sourced from PubChem (CID 107579564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).