2,5-dimethylpyrazine;2,3,5-trimethylpyrazine

C13H18N4 — CID 69044023

IUPAC2,5-dimethylpyrazine;2,3,5-trimethylpyrazine
SMILESCc1cnc(C)c(C)n1.Cc1cnc(C)cn1
InChIInChI=1S/C7H10N2.C6H8N2/c1-5-4-8-6(2)7(3)9-5;1-5-3-8-6(2)4-7-5/h4H,1-3H3;3-4H,1-2H3
InChIKeyWRYOSUWOJDWVFW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.50
Rot. Bonds

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

2,5-dimethylpyrazine;2,3,5-trimethylpyrazine (PubChem CID 69044023) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;2,3,5-trimethylpyrazine.

Molecular Properties

Compound Name2,5-dimethylpyrazine;2,3,5-trimethylpyrazine
PubChem CID69044023
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2,5-dimethylpyrazine;2,3,5-trimethylpyrazine
SMILESCc1cnc(C)c(C)n1.Cc1cnc(C)cn1
InChIInChI=1S/C7H10N2.C6H8N2/c1-5-4-8-6(2)7(3)9-5;1-5-3-8-6(2)4-7-5/h4H,1-3H3;3-4H,1-2H3
InChIKeyWRYOSUWOJDWVFW-UHFFFAOYSA-N
XLogP2.50
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;2,3,5-trimethylpyrazine?
The IUPAC name of 2,5-dimethylpyrazine;2,3,5-trimethylpyrazine (CID 69044023) is 2,5-dimethylpyrazine;2,3,5-trimethylpyrazine.
What is the SMILES notation for 2,5-dimethylpyrazine;2,3,5-trimethylpyrazine?
The canonical SMILES for 2,5-dimethylpyrazine;2,3,5-trimethylpyrazine is Cc1cnc(C)c(C)n1.Cc1cnc(C)cn1.
What is the InChIKey of 2,5-dimethylpyrazine;2,3,5-trimethylpyrazine?
The InChIKey is WRYOSUWOJDWVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C6H8N2/c1-5-4-8-6(2)7(3)9-5;1-5-3-8-6(2)4-7-5/h4H,1-3H3;3-4H,1-2H3.
What are the key properties of 2,5-dimethylpyrazine;2,3,5-trimethylpyrazine?
2,5-dimethylpyrazine;2,3,5-trimethylpyrazine has a molecular weight of 230.31 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazine;2,3,5-trimethylpyrazine is sourced from PubChem (CID 69044023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).