2-tert-butyl-5-propan-2-yloxypyrazine

C11H18N2O — CID 58088002

IUPAC2-tert-butyl-5-propan-2-yloxypyrazine
SMILESCC(C)Oc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(2)14-10-7-12-9(6-13-10)11(3,4)5/h6-8H,1-5H3
InChIKeyHBICEFFOVRJVJF-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.56
Rot. Bonds2

About 2-tert-butyl-5-propan-2-yloxypyrazine

2-tert-butyl-5-propan-2-yloxypyrazine (PubChem CID 58088002) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-yloxypyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-yloxypyrazine
PubChem CID58088002
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-tert-butyl-5-propan-2-yloxypyrazine
SMILESCC(C)Oc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(2)14-10-7-12-9(6-13-10)11(3,4)5/h6-8H,1-5H3
InChIKeyHBICEFFOVRJVJF-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-yloxypyrazine?
The IUPAC name of 2-tert-butyl-5-propan-2-yloxypyrazine (CID 58088002) is 2-tert-butyl-5-propan-2-yloxypyrazine.
What is the SMILES notation for 2-tert-butyl-5-propan-2-yloxypyrazine?
The canonical SMILES for 2-tert-butyl-5-propan-2-yloxypyrazine is CC(C)Oc1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-propan-2-yloxypyrazine?
The InChIKey is HBICEFFOVRJVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)14-10-7-12-9(6-13-10)11(3,4)5/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-5-propan-2-yloxypyrazine?
2-tert-butyl-5-propan-2-yloxypyrazine has a molecular weight of 194.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-yloxypyrazine is sourced from PubChem (CID 58088002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).