2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine

C8H13N3O — CID 62544779

IUPAC2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCOCCNCc1cnccn1
InChIInChI=1S/C8H13N3O/c1-12-5-4-10-7-8-6-9-2-3-11-8/h2-3,6,10H,4-5,7H2,1H3
InChIKeyQTBSQLDHGHKLRP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.21
Rot. Bonds5

About 2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine

2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 62544779) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID62544779
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCOCCNCc1cnccn1
InChIInChI=1S/C8H13N3O/c1-12-5-4-10-7-8-6-9-2-3-11-8/h2-3,6,10H,4-5,7H2,1H3
InChIKeyQTBSQLDHGHKLRP-UHFFFAOYSA-N
XLogP0.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.21
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-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine (CID 62544779) is 2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine is COCCNCc1cnccn1.
What is the InChIKey of 2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is QTBSQLDHGHKLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-12-5-4-10-7-8-6-9-2-3-11-8/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of 2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine?
2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 167.21 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62544779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).