5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one

C5H6F2N2O — CID 134277461

IUPAC5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1C(F)F
InChIInChI=1S/C5H6F2N2O/c6-4(7)3-5(10)9-2-1-8-3/h4H,1-2H2,(H,9,10)
InChIKeyAGEOSQSXFDBXKE-UHFFFAOYSA-N
MW148.11 g/mol
LogP-0.18
Rot. Bonds1

About 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one

5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 134277461) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID134277461
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1NCCN=C1C(F)F
InChIInChI=1S/C5H6F2N2O/c6-4(7)3-5(10)9-2-1-8-3/h4H,1-2H2,(H,9,10)
InChIKeyAGEOSQSXFDBXKE-UHFFFAOYSA-N
XLogP-0.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one (CID 134277461) is 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one is O=C1NCCN=C1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is AGEOSQSXFDBXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c6-4(7)3-5(10)9-2-1-8-3/h4H,1-2H2,(H,9,10).
What are the key properties of 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one?
5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 148.11 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 134277461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).