2-methyl-1,4-dihydropyrazine

C5H8N2 — CID 22059562

IUPAC2-methyl-1,4-dihydropyrazine
SMILESCC1=CNC=CN1
InChIInChI=1S/C5H8N2/c1-5-4-6-2-3-7-5/h2-4,6-7H,1H3
InChIKeyISPYWOBJGIAHTJ-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.51
Rot. Bonds

About 2-methyl-1,4-dihydropyrazine

2-methyl-1,4-dihydropyrazine (PubChem CID 22059562) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-methyl-1,4-dihydropyrazine.

Molecular Properties

Compound Name2-methyl-1,4-dihydropyrazine
PubChem CID22059562
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-methyl-1,4-dihydropyrazine
SMILESCC1=CNC=CN1
InChIInChI=1S/C5H8N2/c1-5-4-6-2-3-7-5/h2-4,6-7H,1H3
InChIKeyISPYWOBJGIAHTJ-UHFFFAOYSA-N
XLogP0.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dihydropyrazine?
The IUPAC name of 2-methyl-1,4-dihydropyrazine (CID 22059562) is 2-methyl-1,4-dihydropyrazine.
What is the SMILES notation for 2-methyl-1,4-dihydropyrazine?
The canonical SMILES for 2-methyl-1,4-dihydropyrazine is CC1=CNC=CN1.
What is the InChIKey of 2-methyl-1,4-dihydropyrazine?
The InChIKey is ISPYWOBJGIAHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5-4-6-2-3-7-5/h2-4,6-7H,1H3.
What are the key properties of 2-methyl-1,4-dihydropyrazine?
2-methyl-1,4-dihydropyrazine has a molecular weight of 96.13 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dihydropyrazine is sourced from PubChem (CID 22059562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).