3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine

C12H20N2O — CID 11608158

IUPAC3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine
SMILESCOc1nc(CC(C)C)cnc1C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)6-10-7-13-11(9(3)4)12(14-10)15-5/h7-9H,6H2,1-5H3
InChIKeyFFYUTPWGANTQEM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.81
Rot. Bonds4

About 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine

3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine (PubChem CID 11608158) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine.

Molecular Properties

Compound Name3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine
PubChem CID11608158
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine
SMILESCOc1nc(CC(C)C)cnc1C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)6-10-7-13-11(9(3)4)12(14-10)15-5/h7-9H,6H2,1-5H3
InChIKeyFFYUTPWGANTQEM-UHFFFAOYSA-N
XLogP2.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine?
The IUPAC name of 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine (CID 11608158) is 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine.
What is the SMILES notation for 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine?
The canonical SMILES for 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine is COc1nc(CC(C)C)cnc1C(C)C.
What is the InChIKey of 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine?
The InChIKey is FFYUTPWGANTQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)6-10-7-13-11(9(3)4)12(14-10)15-5/h7-9H,6H2,1-5H3.
What are the key properties of 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine?
3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine has a molecular weight of 208.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-methylpropyl)-2-propan-2-ylpyrazine is sourced from PubChem (CID 11608158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).