1,5-dimethyl-2H-pyrazine-3,6-dione;ethane

C8H14N2O2 — CID 142925625

IUPAC1,5-dimethyl-2H-pyrazine-3,6-dione;ethane
SMILESCC.CC1=NC(=O)CN(C)C1=O
InChIInChI=1S/C6H8N2O2.C2H6/c1-4-6(10)8(2)3-5(9)7-4;1-2/h3H2,1-2H3;1-2H3
InChIKeyFBRMUASQQAFUHC-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.47
Rot. Bonds

About 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane

1,5-dimethyl-2H-pyrazine-3,6-dione;ethane (PubChem CID 142925625) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane.

Molecular Properties

Compound Name1,5-dimethyl-2H-pyrazine-3,6-dione;ethane
PubChem CID142925625
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1,5-dimethyl-2H-pyrazine-3,6-dione;ethane
SMILESCC.CC1=NC(=O)CN(C)C1=O
InChIInChI=1S/C6H8N2O2.C2H6/c1-4-6(10)8(2)3-5(9)7-4;1-2/h3H2,1-2H3;1-2H3
InChIKeyFBRMUASQQAFUHC-UHFFFAOYSA-N
XLogP0.47
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane?
The IUPAC name of 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane (CID 142925625) is 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane.
What is the SMILES notation for 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane?
The canonical SMILES for 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane is CC.CC1=NC(=O)CN(C)C1=O.
What is the InChIKey of 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane?
The InChIKey is FBRMUASQQAFUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.C2H6/c1-4-6(10)8(2)3-5(9)7-4;1-2/h3H2,1-2H3;1-2H3.
What are the key properties of 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane?
1,5-dimethyl-2H-pyrazine-3,6-dione;ethane has a molecular weight of 170.21 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2H-pyrazine-3,6-dione;ethane is sourced from PubChem (CID 142925625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).