2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine

C18H24N6 — CID 159126220

IUPAC2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine
SMILESCc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nccnc1C
InChIInChI=1S/3C6H8N2/c1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-6(2)8-4-3-7-5/h3*3-4H,1-2H3
InChIKeyKGHRGEUZGJEAOS-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.28
Rot. Bonds

About 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine

2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine (PubChem CID 159126220) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine.

Molecular Properties

Compound Name2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine
PubChem CID159126220
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine
SMILESCc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nccnc1C
InChIInChI=1S/3C6H8N2/c1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-6(2)8-4-3-7-5/h3*3-4H,1-2H3
InChIKeyKGHRGEUZGJEAOS-UHFFFAOYSA-N
XLogP3.28
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine?
The IUPAC name of 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine (CID 159126220) is 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine.
What is the SMILES notation for 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine?
The canonical SMILES for 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine is Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1nccnc1C.
What is the InChIKey of 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine?
The InChIKey is KGHRGEUZGJEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H8N2/c1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-6(2)8-4-3-7-5/h3*3-4H,1-2H3.
What are the key properties of 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine?
2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine has a molecular weight of 324.43 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine is sourced from PubChem (CID 159126220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).