5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine

C12H20N2O — CID 11665628

IUPAC5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine
SMILESCCC(C)c1cnc(C(C)C)c(OC)n1
InChIInChI=1S/C12H20N2O/c1-6-9(4)10-7-13-11(8(2)3)12(14-10)15-5/h7-9H,6H2,1-5H3
InChIKeyIPWGOVFXXCQJOX-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.12
Rot. Bonds4

About 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine

5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine (PubChem CID 11665628) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine.

Molecular Properties

Compound Name5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine
PubChem CID11665628
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine
SMILESCCC(C)c1cnc(C(C)C)c(OC)n1
InChIInChI=1S/C12H20N2O/c1-6-9(4)10-7-13-11(8(2)3)12(14-10)15-5/h7-9H,6H2,1-5H3
InChIKeyIPWGOVFXXCQJOX-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine?
The IUPAC name of 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine (CID 11665628) is 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine.
What is the SMILES notation for 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine?
The canonical SMILES for 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine is CCC(C)c1cnc(C(C)C)c(OC)n1.
What is the InChIKey of 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine?
The InChIKey is IPWGOVFXXCQJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-6-9(4)10-7-13-11(8(2)3)12(14-10)15-5/h7-9H,6H2,1-5H3.
What are the key properties of 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine?
5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine has a molecular weight of 208.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine is sourced from PubChem (CID 11665628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).