(3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one

C5H8N2O — CID 126639577

IUPAC(3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one
SMILESC[C@H]1CNC(=O)C=N1
InChIInChI=1S/C5H8N2O/c1-4-2-7-5(8)3-6-4/h3-4H,2H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyPQOZNCGXGRBVKU-BYPYZUCNSA-N
MW112.13 g/mol
LogP-0.42
Rot. Bonds

About (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one

(3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 126639577) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name(3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one
PubChem CID126639577
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one
SMILESC[C@H]1CNC(=O)C=N1
InChIInChI=1S/C5H8N2O/c1-4-2-7-5(8)3-6-4/h3-4H,2H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyPQOZNCGXGRBVKU-BYPYZUCNSA-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 (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one (CID 126639577) is (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one is C[C@H]1CNC(=O)C=N1.
What is the InChIKey of (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is PQOZNCGXGRBVKU-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-2-7-5(8)3-6-4/h3-4H,2H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one?
(3S)-3-methyl-2,3-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 (3S)-3-methyl-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 126639577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).