3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine

C10H16N2O — CID 11550097

IUPAC3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine
SMILESCOc1nc(C)cnc1CC(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)5-9-10(13-4)12-8(3)6-11-9/h6-7H,5H2,1-4H3
InChIKeyLWQIXPCLHBYZGC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.99
Rot. Bonds3

About 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine

3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine (PubChem CID 11550097) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine.

Molecular Properties

Compound Name3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine
PubChem CID11550097
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine
SMILESCOc1nc(C)cnc1CC(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)5-9-10(13-4)12-8(3)6-11-9/h6-7H,5H2,1-4H3
InChIKeyLWQIXPCLHBYZGC-UHFFFAOYSA-N
XLogP1.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine?
The IUPAC name of 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine (CID 11550097) is 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine.
What is the SMILES notation for 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine?
The canonical SMILES for 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine is COc1nc(C)cnc1CC(C)C.
What is the InChIKey of 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine?
The InChIKey is LWQIXPCLHBYZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)5-9-10(13-4)12-8(3)6-11-9/h6-7H,5H2,1-4H3.
What are the key properties of 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine?
3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine has a molecular weight of 180.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine is sourced from PubChem (CID 11550097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).