2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

C9H15N3O — CID 62544780

IUPAC2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCOCCNCc1cnc(C)cn1
InChIInChI=1S/C9H15N3O/c1-8-5-12-9(7-11-8)6-10-3-4-13-2/h5,7,10H,3-4,6H2,1-2H3
InChIKeyPDDDKPWXVVEFBP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.52
Rot. Bonds5

About 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 62544780) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID62544780
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCOCCNCc1cnc(C)cn1
InChIInChI=1S/C9H15N3O/c1-8-5-12-9(7-11-8)6-10-3-4-13-2/h5,7,10H,3-4,6H2,1-2H3
InChIKeyPDDDKPWXVVEFBP-UHFFFAOYSA-N
XLogP0.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (CID 62544780) is 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is COCCNCc1cnc(C)cn1.
What is the InChIKey of 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is PDDDKPWXVVEFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-5-12-9(7-11-8)6-10-3-4-13-2/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 62544780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).