5-methyl-2,5-dihydro-1H-pyrazin-6-one

C5H8N2O — CID 22097245

IUPAC5-methyl-2,5-dihydro-1H-pyrazin-6-one
SMILESCC1N=CCNC1=O
InChIInChI=1S/C5H8N2O/c1-4-5(8)7-3-2-6-4/h2,4H,3H2,1H3,(H,7,8)
InChIKeyJXOOQRKGNMGXMZ-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.42
Rot. Bonds

About 5-methyl-2,5-dihydro-1H-pyrazin-6-one

5-methyl-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 22097245) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methyl-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-methyl-2,5-dihydro-1H-pyrazin-6-one
PubChem CID22097245
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-methyl-2,5-dihydro-1H-pyrazin-6-one
SMILESCC1N=CCNC1=O
InChIInChI=1S/C5H8N2O/c1-4-5(8)7-3-2-6-4/h2,4H,3H2,1H3,(H,7,8)
InChIKeyJXOOQRKGNMGXMZ-UHFFFAOYSA-N
XLogP-0.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-methyl-2,5-dihydro-1H-pyrazin-6-one (CID 22097245) is 5-methyl-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-methyl-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-methyl-2,5-dihydro-1H-pyrazin-6-one is CC1N=CCNC1=O.
What is the InChIKey of 5-methyl-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is JXOOQRKGNMGXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-5(8)7-3-2-6-4/h2,4H,3H2,1H3,(H,7,8).
What are the key properties of 5-methyl-2,5-dihydro-1H-pyrazin-6-one?
5-methyl-2,5-dihydro-1H-pyrazin-6-one has a molecular weight of 112.13 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 22097245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).