3-methoxy-2,5-bis(2-methylpropyl)pyrazine

C13H22N2O — CID 11637154

IUPAC3-methoxy-2,5-bis(2-methylpropyl)pyrazine
SMILESCOc1nc(CC(C)C)cnc1CC(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)6-11-8-14-12(7-10(3)4)13(15-11)16-5/h8-10H,6-7H2,1-5H3
InChIKeyCZCIHKWQWLOKNU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.88
Rot. Bonds5

About 3-methoxy-2,5-bis(2-methylpropyl)pyrazine

3-methoxy-2,5-bis(2-methylpropyl)pyrazine (PubChem CID 11637154) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methoxy-2,5-bis(2-methylpropyl)pyrazine.

Molecular Properties

Compound Name3-methoxy-2,5-bis(2-methylpropyl)pyrazine
PubChem CID11637154
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methoxy-2,5-bis(2-methylpropyl)pyrazine
SMILESCOc1nc(CC(C)C)cnc1CC(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)6-11-8-14-12(7-10(3)4)13(15-11)16-5/h8-10H,6-7H2,1-5H3
InChIKeyCZCIHKWQWLOKNU-UHFFFAOYSA-N
XLogP2.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.88
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-bis(2-methylpropyl)pyrazine?
The IUPAC name of 3-methoxy-2,5-bis(2-methylpropyl)pyrazine (CID 11637154) is 3-methoxy-2,5-bis(2-methylpropyl)pyrazine.
What is the SMILES notation for 3-methoxy-2,5-bis(2-methylpropyl)pyrazine?
The canonical SMILES for 3-methoxy-2,5-bis(2-methylpropyl)pyrazine is COc1nc(CC(C)C)cnc1CC(C)C.
What is the InChIKey of 3-methoxy-2,5-bis(2-methylpropyl)pyrazine?
The InChIKey is CZCIHKWQWLOKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)6-11-8-14-12(7-10(3)4)13(15-11)16-5/h8-10H,6-7H2,1-5H3.
What are the key properties of 3-methoxy-2,5-bis(2-methylpropyl)pyrazine?
3-methoxy-2,5-bis(2-methylpropyl)pyrazine has a molecular weight of 222.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,5-bis(2-methylpropyl)pyrazine is sourced from PubChem (CID 11637154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).