2-(prop-2-ynoxymethyl)pyrazine

C8H8N2O — CID 14531221

IUPAC2-(prop-2-ynoxymethyl)pyrazine
SMILESC#CCOCc1cnccn1
InChIInChI=1S/C8H8N2O/c1-2-5-11-7-8-6-9-3-4-10-8/h1,3-4,6H,5,7H2
InChIKeyQKAHZQCULQMHEW-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.63
Rot. Bonds3

About 2-(prop-2-ynoxymethyl)pyrazine

2-(prop-2-ynoxymethyl)pyrazine (PubChem CID 14531221) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(prop-2-ynoxymethyl)pyrazine.

Molecular Properties

Compound Name2-(prop-2-ynoxymethyl)pyrazine
PubChem CID14531221
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-(prop-2-ynoxymethyl)pyrazine
SMILESC#CCOCc1cnccn1
InChIInChI=1S/C8H8N2O/c1-2-5-11-7-8-6-9-3-4-10-8/h1,3-4,6H,5,7H2
InChIKeyQKAHZQCULQMHEW-UHFFFAOYSA-N
XLogP0.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynoxymethyl)pyrazine?
The IUPAC name of 2-(prop-2-ynoxymethyl)pyrazine (CID 14531221) is 2-(prop-2-ynoxymethyl)pyrazine.
What is the SMILES notation for 2-(prop-2-ynoxymethyl)pyrazine?
The canonical SMILES for 2-(prop-2-ynoxymethyl)pyrazine is C#CCOCc1cnccn1.
What is the InChIKey of 2-(prop-2-ynoxymethyl)pyrazine?
The InChIKey is QKAHZQCULQMHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-5-11-7-8-6-9-3-4-10-8/h1,3-4,6H,5,7H2.
What are the key properties of 2-(prop-2-ynoxymethyl)pyrazine?
2-(prop-2-ynoxymethyl)pyrazine has a molecular weight of 148.16 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynoxymethyl)pyrazine is sourced from PubChem (CID 14531221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).