2-(3,4,5-trimethylphenyl)pyrazine

C13H14N2 — CID 126550614

IUPAC2-(3,4,5-trimethylphenyl)pyrazine
SMILESCc1cc(-c2cnccn2)cc(C)c1C
InChIInChI=1S/C13H14N2/c1-9-6-12(7-10(2)11(9)3)13-8-14-4-5-15-13/h4-8H,1-3H3
InChIKeyGNTOOIAKWHCPPK-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.07
Rot. Bonds1

About 2-(3,4,5-trimethylphenyl)pyrazine

2-(3,4,5-trimethylphenyl)pyrazine (PubChem CID 126550614) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(3,4,5-trimethylphenyl)pyrazine.

Molecular Properties

Compound Name2-(3,4,5-trimethylphenyl)pyrazine
PubChem CID126550614
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2-(3,4,5-trimethylphenyl)pyrazine
SMILESCc1cc(-c2cnccn2)cc(C)c1C
InChIInChI=1S/C13H14N2/c1-9-6-12(7-10(2)11(9)3)13-8-14-4-5-15-13/h4-8H,1-3H3
InChIKeyGNTOOIAKWHCPPK-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylphenyl)pyrazine?
The IUPAC name of 2-(3,4,5-trimethylphenyl)pyrazine (CID 126550614) is 2-(3,4,5-trimethylphenyl)pyrazine.
What is the SMILES notation for 2-(3,4,5-trimethylphenyl)pyrazine?
The canonical SMILES for 2-(3,4,5-trimethylphenyl)pyrazine is Cc1cc(-c2cnccn2)cc(C)c1C.
What is the InChIKey of 2-(3,4,5-trimethylphenyl)pyrazine?
The InChIKey is GNTOOIAKWHCPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-6-12(7-10(2)11(9)3)13-8-14-4-5-15-13/h4-8H,1-3H3.
What are the key properties of 2-(3,4,5-trimethylphenyl)pyrazine?
2-(3,4,5-trimethylphenyl)pyrazine has a molecular weight of 198.27 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethylphenyl)pyrazine is sourced from PubChem (CID 126550614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).