2-(3-methoxypyrazin-2-yl)aniline

C11H11N3O — CID 104516148

IUPAC2-(3-methoxypyrazin-2-yl)aniline
SMILESCOc1nccnc1-c1ccccc1N
InChIInChI=1S/C11H11N3O/c1-15-11-10(13-6-7-14-11)8-4-2-3-5-9(8)12/h2-7H,12H2,1H3
InChIKeyDLJUVCRKTWBERR-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.73
Rot. Bonds2

About 2-(3-methoxypyrazin-2-yl)aniline

2-(3-methoxypyrazin-2-yl)aniline (PubChem CID 104516148) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(3-methoxypyrazin-2-yl)aniline.

Molecular Properties

Compound Name2-(3-methoxypyrazin-2-yl)aniline
PubChem CID104516148
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(3-methoxypyrazin-2-yl)aniline
SMILESCOc1nccnc1-c1ccccc1N
InChIInChI=1S/C11H11N3O/c1-15-11-10(13-6-7-14-11)8-4-2-3-5-9(8)12/h2-7H,12H2,1H3
InChIKeyDLJUVCRKTWBERR-UHFFFAOYSA-N
XLogP1.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
2-methoxy-3-pyridin-2-ylpyrazine
CID 91147636
6-(3-methoxypyrazin-2-yl)pyridin-2-amine
CID 104516152
4-(3-methoxypyrazin-2-yl)-2-methylaniline
CID 104516164
4-(3-methoxypyrazin-2-yl)-2,3-dihydro-1H-indole
CID 116698410
2-(2-methoxypyrimidin-5-yl)aniline
CID 105453472
[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine
CID 104516233
2-(3-methoxypyrazin-2-yl)-4-methylphenol
CID 136919797
2-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794174
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
2-methoxy-3-pyridin-2-ylaniline
CID 171626476
3-[2-(methoxymethyl)phenyl]pyrazin-2-amine
CID 112559107

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrazin-2-yl)aniline?
The IUPAC name of 2-(3-methoxypyrazin-2-yl)aniline (CID 104516148) is 2-(3-methoxypyrazin-2-yl)aniline.
What is the SMILES notation for 2-(3-methoxypyrazin-2-yl)aniline?
The canonical SMILES for 2-(3-methoxypyrazin-2-yl)aniline is COc1nccnc1-c1ccccc1N.
What is the InChIKey of 2-(3-methoxypyrazin-2-yl)aniline?
The InChIKey is DLJUVCRKTWBERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-15-11-10(13-6-7-14-11)8-4-2-3-5-9(8)12/h2-7H,12H2,1H3.
What are the key properties of 2-(3-methoxypyrazin-2-yl)aniline?
2-(3-methoxypyrazin-2-yl)aniline has a molecular weight of 201.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrazin-2-yl)aniline is sourced from PubChem (CID 104516148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).