2-tert-butyl-5-(2-methoxyethoxy)pyrazine

C11H18N2O2 — CID 135302140

IUPAC2-tert-butyl-5-(2-methoxyethoxy)pyrazine
SMILESCOCCOc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)9-7-13-10(8-12-9)15-6-5-14-4/h7-8H,5-6H2,1-4H3
InChIKeyWZPRNLDVWXZJBX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.80
Rot. Bonds4

About 2-tert-butyl-5-(2-methoxyethoxy)pyrazine

2-tert-butyl-5-(2-methoxyethoxy)pyrazine (PubChem CID 135302140) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methoxyethoxy)pyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methoxyethoxy)pyrazine
PubChem CID135302140
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-tert-butyl-5-(2-methoxyethoxy)pyrazine
SMILESCOCCOc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O2/c1-11(2,3)9-7-13-10(8-12-9)15-6-5-14-4/h7-8H,5-6H2,1-4H3
InChIKeyWZPRNLDVWXZJBX-UHFFFAOYSA-N
XLogP1.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
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-tert-butyl-5-(2-methoxyethoxy)pyrazine?
The IUPAC name of 2-tert-butyl-5-(2-methoxyethoxy)pyrazine (CID 135302140) is 2-tert-butyl-5-(2-methoxyethoxy)pyrazine.
What is the SMILES notation for 2-tert-butyl-5-(2-methoxyethoxy)pyrazine?
The canonical SMILES for 2-tert-butyl-5-(2-methoxyethoxy)pyrazine is COCCOc1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-(2-methoxyethoxy)pyrazine?
The InChIKey is WZPRNLDVWXZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)9-7-13-10(8-12-9)15-6-5-14-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(2-methoxyethoxy)pyrazine?
2-tert-butyl-5-(2-methoxyethoxy)pyrazine has a molecular weight of 210.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methoxyethoxy)pyrazine is sourced from PubChem (CID 135302140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).