3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine

C12H20N2 — CID 172848670

IUPAC3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine
SMILESCCc1nc(C)cnc1CCC(C)C
InChIInChI=1S/C12H20N2/c1-5-11-12(7-6-9(2)3)13-8-10(4)14-11/h8-9H,5-7H2,1-4H3
InChIKeyXTTDPXLNRTZGBD-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.94
Rot. Bonds4

About 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine

3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine (PubChem CID 172848670) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine.

Molecular Properties

Compound Name3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine
PubChem CID172848670
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine
SMILESCCc1nc(C)cnc1CCC(C)C
InChIInChI=1S/C12H20N2/c1-5-11-12(7-6-9(2)3)13-8-10(4)14-11/h8-9H,5-7H2,1-4H3
InChIKeyXTTDPXLNRTZGBD-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine?
The IUPAC name of 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine (CID 172848670) is 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine.
What is the SMILES notation for 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine?
The canonical SMILES for 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine is CCc1nc(C)cnc1CCC(C)C.
What is the InChIKey of 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine?
The InChIKey is XTTDPXLNRTZGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-11-12(7-6-9(2)3)13-8-10(4)14-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine?
3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine has a molecular weight of 192.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-2-(3-methylbutyl)pyrazine is sourced from PubChem (CID 172848670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).