4-(trifluoromethyl)-1,2-dihydropyrazin-3-one

C5H5F3N2O — CID 175961772

IUPAC4-(trifluoromethyl)-1,2-dihydropyrazin-3-one
SMILESO=C1CNC=CN1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)10-2-1-9-3-4(10)11/h1-2,9H,3H2
InChIKeyDWBKPVYJESDMGD-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.41
Rot. Bonds

About 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one

4-(trifluoromethyl)-1,2-dihydropyrazin-3-one (PubChem CID 175961772) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2-dihydropyrazin-3-one
PubChem CID175961772
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name4-(trifluoromethyl)-1,2-dihydropyrazin-3-one
SMILESO=C1CNC=CN1C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)10-2-1-9-3-4(10)11/h1-2,9H,3H2
InChIKeyDWBKPVYJESDMGD-UHFFFAOYSA-N
XLogP0.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one?
The IUPAC name of 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one (CID 175961772) is 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one.
What is the SMILES notation for 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one?
The canonical SMILES for 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one is O=C1CNC=CN1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one?
The InChIKey is DWBKPVYJESDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)10-2-1-9-3-4(10)11/h1-2,9H,3H2.
What are the key properties of 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one?
4-(trifluoromethyl)-1,2-dihydropyrazin-3-one has a molecular weight of 166.10 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2-dihydropyrazin-3-one is sourced from PubChem (CID 175961772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).