2-ethyl-1-methyl-2H-pyrazine

C7H12N2 — CID 70454117

IUPAC2-ethyl-1-methyl-2H-pyrazine
SMILESCCC1C=NC=CN1C
InChIInChI=1S/C7H12N2/c1-3-7-6-8-4-5-9(7)2/h4-7H,3H2,1-2H3
InChIKeyGTJGTCBJQCVTHF-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds1

About 2-ethyl-1-methyl-2H-pyrazine

2-ethyl-1-methyl-2H-pyrazine (PubChem CID 70454117) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-ethyl-1-methyl-2H-pyrazine.

Molecular Properties

Compound Name2-ethyl-1-methyl-2H-pyrazine
PubChem CID70454117
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-ethyl-1-methyl-2H-pyrazine
SMILESCCC1C=NC=CN1C
InChIInChI=1S/C7H12N2/c1-3-7-6-8-4-5-9(7)2/h4-7H,3H2,1-2H3
InChIKeyGTJGTCBJQCVTHF-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-2H-pyrazine?
The IUPAC name of 2-ethyl-1-methyl-2H-pyrazine (CID 70454117) is 2-ethyl-1-methyl-2H-pyrazine.
What is the SMILES notation for 2-ethyl-1-methyl-2H-pyrazine?
The canonical SMILES for 2-ethyl-1-methyl-2H-pyrazine is CCC1C=NC=CN1C.
What is the InChIKey of 2-ethyl-1-methyl-2H-pyrazine?
The InChIKey is GTJGTCBJQCVTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7-6-8-4-5-9(7)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-2H-pyrazine?
2-ethyl-1-methyl-2H-pyrazine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-2H-pyrazine is sourced from PubChem (CID 70454117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).