3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one

C11H8F3N3O — CID 178183729

IUPAC3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-6(2-4-7)8-5-16-9(15)10(18)17-8/h1-5H,(H2,15,16)(H,17,18)
InChIKeyPDIOVFSKVKXZIN-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.04
Rot. Bonds1

About 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one

3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one (PubChem CID 178183729) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one
PubChem CID178183729
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-6(2-4-7)8-5-16-9(15)10(18)17-8/h1-5H,(H2,15,16)(H,17,18)
InChIKeyPDIOVFSKVKXZIN-UHFFFAOYSA-N
XLogP2.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
CID 65457057
5-[4-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazole
CID 18755583
3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one
CID 178183717
3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine
CID 71523652
2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 118832989
3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 22503463
3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 67000967
6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 87405942
3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 155817766
2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 53256598
5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10610924
3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one
CID 178183735

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one?
The IUPAC name of 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one (CID 178183729) is 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one is Nc1ncc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one?
The InChIKey is PDIOVFSKVKXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-3-1-6(2-4-7)8-5-16-9(15)10(18)17-8/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one?
3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one has a molecular weight of 255.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 178183729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).