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

C12H20N2O — CID 142841015

IUPAC2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine
SMILESCOc1ncc(C(C)C)nc1CC(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)6-10-12(15-5)13-7-11(14-10)9(3)4/h7-9H,6H2,1-5H3
InChIKeyISBHPDWVBDKNRU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.81
Rot. Bonds4

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

2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine (PubChem CID 142841015) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine
PubChem CID142841015
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine
SMILESCOc1ncc(C(C)C)nc1CC(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)6-10-12(15-5)13-7-11(14-10)9(3)4/h7-9H,6H2,1-5H3
InChIKeyISBHPDWVBDKNRU-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 2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine?
The IUPAC name of 2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine (CID 142841015) is 2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine.
What is the SMILES notation for 2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine?
The canonical SMILES for 2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine is COc1ncc(C(C)C)nc1CC(C)C.
What is the InChIKey of 2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine?
The InChIKey is ISBHPDWVBDKNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)6-10-12(15-5)13-7-11(14-10)9(3)4/h7-9H,6H2,1-5H3.
What are the key properties of 2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine?
2-methoxy-3-(2-methylpropyl)-5-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 2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine is sourced from PubChem (CID 142841015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).