2-methoxy-3-(3-methylbutyl)pyrazine

C10H16N2O — CID 528319

IUPAC2-methoxy-3-(3-methylbutyl)pyrazine
SMILESCOc1nccnc1CCC(C)C
InChIInChI=1S/C10H16N2O/c1-8(2)4-5-9-10(13-3)12-7-6-11-9/h6-8H,4-5H2,1-3H3
InChIKeyTVXVTADJOKTTIV-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.07
Rot. Bonds4

About 2-methoxy-3-(3-methylbutyl)pyrazine

2-methoxy-3-(3-methylbutyl)pyrazine (PubChem CID 528319) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methoxy-3-(3-methylbutyl)pyrazine.

Molecular Properties

Compound Name2-methoxy-3-(3-methylbutyl)pyrazine
PubChem CID528319
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methoxy-3-(3-methylbutyl)pyrazine
SMILESCOc1nccnc1CCC(C)C
InChIInChI=1S/C10H16N2O/c1-8(2)4-5-9-10(13-3)12-7-6-11-9/h6-8H,4-5H2,1-3H3
InChIKeyTVXVTADJOKTTIV-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-methylbutyl)pyrazine?
The IUPAC name of 2-methoxy-3-(3-methylbutyl)pyrazine (CID 528319) is 2-methoxy-3-(3-methylbutyl)pyrazine.
What is the SMILES notation for 2-methoxy-3-(3-methylbutyl)pyrazine?
The canonical SMILES for 2-methoxy-3-(3-methylbutyl)pyrazine is COc1nccnc1CCC(C)C.
What is the InChIKey of 2-methoxy-3-(3-methylbutyl)pyrazine?
The InChIKey is TVXVTADJOKTTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)4-5-9-10(13-3)12-7-6-11-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-3-(3-methylbutyl)pyrazine?
2-methoxy-3-(3-methylbutyl)pyrazine has a molecular weight of 180.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methylbutyl)pyrazine is sourced from PubChem (CID 528319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).