2-(2-methylpropoxy)-5-propan-2-ylpyrazine

C11H18N2O — CID 58449073

IUPAC2-(2-methylpropoxy)-5-propan-2-ylpyrazine
SMILESCC(C)COc1cnc(C(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(2)7-14-11-6-12-10(5-13-11)9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyPWWZYJTUEKIZEQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.63
Rot. Bonds4

About 2-(2-methylpropoxy)-5-propan-2-ylpyrazine

2-(2-methylpropoxy)-5-propan-2-ylpyrazine (PubChem CID 58449073) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-5-propan-2-ylpyrazine
PubChem CID58449073
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(2-methylpropoxy)-5-propan-2-ylpyrazine
SMILESCC(C)COc1cnc(C(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(2)7-14-11-6-12-10(5-13-11)9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyPWWZYJTUEKIZEQ-UHFFFAOYSA-N
XLogP2.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-5-propan-2-ylpyrazine?
The IUPAC name of 2-(2-methylpropoxy)-5-propan-2-ylpyrazine (CID 58449073) is 2-(2-methylpropoxy)-5-propan-2-ylpyrazine.
What is the SMILES notation for 2-(2-methylpropoxy)-5-propan-2-ylpyrazine?
The canonical SMILES for 2-(2-methylpropoxy)-5-propan-2-ylpyrazine is CC(C)COc1cnc(C(C)C)cn1.
What is the InChIKey of 2-(2-methylpropoxy)-5-propan-2-ylpyrazine?
The InChIKey is PWWZYJTUEKIZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)7-14-11-6-12-10(5-13-11)9(3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 2-(2-methylpropoxy)-5-propan-2-ylpyrazine?
2-(2-methylpropoxy)-5-propan-2-ylpyrazine has a molecular weight of 194.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-5-propan-2-ylpyrazine is sourced from PubChem (CID 58449073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).