2-chloro-3,6-diethyl-5-methylpyrazine

C9H13ClN2 — CID 134990072

IUPAC2-chloro-3,6-diethyl-5-methylpyrazine
SMILESCCc1nc(Cl)c(CC)nc1C
InChIInChI=1S/C9H13ClN2/c1-4-7-6(3)11-8(5-2)9(10)12-7/h4-5H2,1-3H3
InChIKeyRJUVFGZUOOOKGE-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.56
Rot. Bonds2

About 2-chloro-3,6-diethyl-5-methylpyrazine

2-chloro-3,6-diethyl-5-methylpyrazine (PubChem CID 134990072) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-3,6-diethyl-5-methylpyrazine.

Molecular Properties

Compound Name2-chloro-3,6-diethyl-5-methylpyrazine
PubChem CID134990072
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-chloro-3,6-diethyl-5-methylpyrazine
SMILESCCc1nc(Cl)c(CC)nc1C
InChIInChI=1S/C9H13ClN2/c1-4-7-6(3)11-8(5-2)9(10)12-7/h4-5H2,1-3H3
InChIKeyRJUVFGZUOOOKGE-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-diethyl-5-methylpyrazine?
The IUPAC name of 2-chloro-3,6-diethyl-5-methylpyrazine (CID 134990072) is 2-chloro-3,6-diethyl-5-methylpyrazine.
What is the SMILES notation for 2-chloro-3,6-diethyl-5-methylpyrazine?
The canonical SMILES for 2-chloro-3,6-diethyl-5-methylpyrazine is CCc1nc(Cl)c(CC)nc1C.
What is the InChIKey of 2-chloro-3,6-diethyl-5-methylpyrazine?
The InChIKey is RJUVFGZUOOOKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-4-7-6(3)11-8(5-2)9(10)12-7/h4-5H2,1-3H3.
What are the key properties of 2-chloro-3,6-diethyl-5-methylpyrazine?
2-chloro-3,6-diethyl-5-methylpyrazine has a molecular weight of 184.67 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-diethyl-5-methylpyrazine is sourced from PubChem (CID 134990072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).