3-methoxy-2,5-di(propan-2-yl)pyrazine

C11H18N2O — CID 11579274

IUPAC3-methoxy-2,5-di(propan-2-yl)pyrazine
SMILESCOc1nc(C(C)C)cnc1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)9-6-12-10(8(3)4)11(13-9)14-5/h6-8H,1-5H3
InChIKeyWAUFCDDTZROVIM-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.73
Rot. Bonds3

About 3-methoxy-2,5-di(propan-2-yl)pyrazine

3-methoxy-2,5-di(propan-2-yl)pyrazine (PubChem CID 11579274) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methoxy-2,5-di(propan-2-yl)pyrazine.

Molecular Properties

Compound Name3-methoxy-2,5-di(propan-2-yl)pyrazine
PubChem CID11579274
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-methoxy-2,5-di(propan-2-yl)pyrazine
SMILESCOc1nc(C(C)C)cnc1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)9-6-12-10(8(3)4)11(13-9)14-5/h6-8H,1-5H3
InChIKeyWAUFCDDTZROVIM-UHFFFAOYSA-N
XLogP2.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,5-di(propan-2-yl)pyrazine?
The IUPAC name of 3-methoxy-2,5-di(propan-2-yl)pyrazine (CID 11579274) is 3-methoxy-2,5-di(propan-2-yl)pyrazine.
What is the SMILES notation for 3-methoxy-2,5-di(propan-2-yl)pyrazine?
The canonical SMILES for 3-methoxy-2,5-di(propan-2-yl)pyrazine is COc1nc(C(C)C)cnc1C(C)C.
What is the InChIKey of 3-methoxy-2,5-di(propan-2-yl)pyrazine?
The InChIKey is WAUFCDDTZROVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)9-6-12-10(8(3)4)11(13-9)14-5/h6-8H,1-5H3.
What are the key properties of 3-methoxy-2,5-di(propan-2-yl)pyrazine?
3-methoxy-2,5-di(propan-2-yl)pyrazine has a molecular weight of 194.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,5-di(propan-2-yl)pyrazine is sourced from PubChem (CID 11579274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).