2,5-dimethyl-1,2-dihydropyrazine-3,6-dione

C6H8N2O2 — CID 14540242

IUPAC2,5-dimethyl-1,2-dihydropyrazine-3,6-dione
SMILESCC1=NC(=O)C(C)NC1=O
InChIInChI=1S/C6H8N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3H,1-2H3,(H,7,10)
InChIKeyBPUSNJCNNXCJDT-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.51
Rot. Bonds

About 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione

2,5-dimethyl-1,2-dihydropyrazine-3,6-dione (PubChem CID 14540242) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione.

Molecular Properties

Compound Name2,5-dimethyl-1,2-dihydropyrazine-3,6-dione
PubChem CID14540242
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2,5-dimethyl-1,2-dihydropyrazine-3,6-dione
SMILESCC1=NC(=O)C(C)NC1=O
InChIInChI=1S/C6H8N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3H,1-2H3,(H,7,10)
InChIKeyBPUSNJCNNXCJDT-UHFFFAOYSA-N
XLogP-0.51
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione?
The IUPAC name of 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione (CID 14540242) is 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione.
What is the SMILES notation for 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione?
The canonical SMILES for 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione is CC1=NC(=O)C(C)NC1=O.
What is the InChIKey of 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione?
The InChIKey is BPUSNJCNNXCJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3H,1-2H3,(H,7,10).
What are the key properties of 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione?
2,5-dimethyl-1,2-dihydropyrazine-3,6-dione has a molecular weight of 140.14 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,2-dihydropyrazine-3,6-dione is sourced from PubChem (CID 14540242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).