2-methyl-5-(3-methylbutoxy)pyrazine

C10H16N2O — CID 176962198

IUPAC2-methyl-5-(3-methylbutoxy)pyrazine
SMILESCc1cnc(OCCC(C)C)cn1
InChIInChI=1S/C10H16N2O/c1-8(2)4-5-13-10-7-11-9(3)6-12-10/h6-8H,4-5H2,1-3H3
InChIKeyJPNHLWVOLITZAT-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.21
Rot. Bonds4

About 2-methyl-5-(3-methylbutoxy)pyrazine

2-methyl-5-(3-methylbutoxy)pyrazine (PubChem CID 176962198) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-5-(3-methylbutoxy)pyrazine.

Molecular Properties

Compound Name2-methyl-5-(3-methylbutoxy)pyrazine
PubChem CID176962198
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-5-(3-methylbutoxy)pyrazine
SMILESCc1cnc(OCCC(C)C)cn1
InChIInChI=1S/C10H16N2O/c1-8(2)4-5-13-10-7-11-9(3)6-12-10/h6-8H,4-5H2,1-3H3
InChIKeyJPNHLWVOLITZAT-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylbutoxy)pyrazine?
The IUPAC name of 2-methyl-5-(3-methylbutoxy)pyrazine (CID 176962198) is 2-methyl-5-(3-methylbutoxy)pyrazine.
What is the SMILES notation for 2-methyl-5-(3-methylbutoxy)pyrazine?
The canonical SMILES for 2-methyl-5-(3-methylbutoxy)pyrazine is Cc1cnc(OCCC(C)C)cn1.
What is the InChIKey of 2-methyl-5-(3-methylbutoxy)pyrazine?
The InChIKey is JPNHLWVOLITZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)4-5-13-10-7-11-9(3)6-12-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-(3-methylbutoxy)pyrazine?
2-methyl-5-(3-methylbutoxy)pyrazine has a molecular weight of 180.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylbutoxy)pyrazine is sourced from PubChem (CID 176962198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).