4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline

C12H13N3O — CID 83065097

IUPAC4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
SMILESCc1ccc(N)cc1Oc1nccnc1C
InChIInChI=1S/C12H13N3O/c1-8-3-4-10(13)7-11(8)16-12-9(2)14-5-6-15-12/h3-7H,13H2,1-2H3
InChIKeyZFOGQUFSQLZSDH-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.47
Rot. Bonds2

About 4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline

4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline (PubChem CID 83065097) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline.

Molecular Properties

Compound Name4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
PubChem CID83065097
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
SMILESCc1ccc(N)cc1Oc1nccnc1C
InChIInChI=1S/C12H13N3O/c1-8-3-4-10(13)7-11(8)16-12-9(2)14-5-6-15-12/h3-7H,13H2,1-2H3
InChIKeyZFOGQUFSQLZSDH-UHFFFAOYSA-N
XLogP2.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.47
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-methyl-3-(3-methylpyrazin-2-yl)oxyaniline?
The IUPAC name of 4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline (CID 83065097) is 4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline.
What is the SMILES notation for 4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline?
The canonical SMILES for 4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline is Cc1ccc(N)cc1Oc1nccnc1C.
What is the InChIKey of 4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline?
The InChIKey is ZFOGQUFSQLZSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-4-10(13)7-11(8)16-12-9(2)14-5-6-15-12/h3-7H,13H2,1-2H3.
What are the key properties of 4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline?
4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline has a molecular weight of 215.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline is sourced from PubChem (CID 83065097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).