2-but-2-ynoxy-5-methylpyrazine;ethane

C11H16N2O — CID 145255278

IUPAC2-but-2-ynoxy-5-methylpyrazine;ethane
SMILESCC.CC#CCOc1cnc(C)cn1
InChIInChI=1S/C9H10N2O.C2H6/c1-3-4-5-12-9-7-10-8(2)6-11-9;1-2/h6-7H,5H2,1-2H3;1-2H3
InChIKeyUSHKYJDTUZURNB-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.21
Rot. Bonds2

About 2-but-2-ynoxy-5-methylpyrazine;ethane

2-but-2-ynoxy-5-methylpyrazine;ethane (PubChem CID 145255278) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-but-2-ynoxy-5-methylpyrazine;ethane.

Molecular Properties

Compound Name2-but-2-ynoxy-5-methylpyrazine;ethane
PubChem CID145255278
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-but-2-ynoxy-5-methylpyrazine;ethane
SMILESCC.CC#CCOc1cnc(C)cn1
InChIInChI=1S/C9H10N2O.C2H6/c1-3-4-5-12-9-7-10-8(2)6-11-9;1-2/h6-7H,5H2,1-2H3;1-2H3
InChIKeyUSHKYJDTUZURNB-UHFFFAOYSA-N
XLogP2.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynoxy-5-methylpyrazine;ethane?
The IUPAC name of 2-but-2-ynoxy-5-methylpyrazine;ethane (CID 145255278) is 2-but-2-ynoxy-5-methylpyrazine;ethane.
What is the SMILES notation for 2-but-2-ynoxy-5-methylpyrazine;ethane?
The canonical SMILES for 2-but-2-ynoxy-5-methylpyrazine;ethane is CC.CC#CCOc1cnc(C)cn1.
What is the InChIKey of 2-but-2-ynoxy-5-methylpyrazine;ethane?
The InChIKey is USHKYJDTUZURNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-3-4-5-12-9-7-10-8(2)6-11-9;1-2/h6-7H,5H2,1-2H3;1-2H3.
What are the key properties of 2-but-2-ynoxy-5-methylpyrazine;ethane?
2-but-2-ynoxy-5-methylpyrazine;ethane has a molecular weight of 192.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynoxy-5-methylpyrazine;ethane is sourced from PubChem (CID 145255278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).