6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one

C14H10F3N3O3 — CID 19365539

IUPAC6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc3c(c2)NC(=O)CO3)c1=O
InChIInChI=1S/C14H10F3N3O3/c1-20-10(14(15,16)17)5-18-12(13(20)22)7-2-3-9-8(4-7)19-11(21)6-23-9/h2-5H,6H2,1H3,(H,19,21)
InChIKeyLZFQZRHJIFYGRD-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.80
Rot. Bonds1

About 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one

6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 19365539) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one
PubChem CID19365539
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC Name6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc3c(c2)NC(=O)CO3)c1=O
InChIInChI=1S/C14H10F3N3O3/c1-20-10(14(15,16)17)5-18-12(13(20)22)7-2-3-9-8(4-7)19-11(21)6-23-9/h2-5H,6H2,1H3,(H,19,21)
InChIKeyLZFQZRHJIFYGRD-UHFFFAOYSA-N
XLogP1.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Benzo[1,4]oxazin-3-one, 6-methyl-2-morpholin-4-yl-2-trifluoromethyl-
CID 3244826
4-(6-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-YL)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 16011483
N-(3-fluorobenzyl)-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
CID 16011559
4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(3-piperidin-1-ylpropyl)butanamide
CID 20887584
6-[4-(4-fluorophenyl)-1,2-dimethyl-5-oxo-2H-pyrrol-3-yl]-4H-1,4-benzoxazin-3-one
CID 72163622
6-[1-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxo-2H-pyrrol-3-yl]-4H-1,4-benzoxazin-3-one
CID 72163623
6-[1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-oxo-2H-pyrrol-3-yl]-4H-1,4-benzoxazin-3-one
CID 72163624
6-[4-(4-fluorophenyl)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]-4H-1,4-benzoxazin-3-one
CID 72163626
8-fluoro-6-[4-(4-fluorophenyl)-2-methyl-5-oxo-1,2-dihydropyrrol-3-yl]-4H-1,4-benzoxazin-3-one
CID 72163754
6-[(2,4-difluoro-N-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 127032034
6-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-2H-1,4-benzoxazin-3(4H)-one
CID 9816616
6-(3,4-Dihydro-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydro-5-methylpyridazin-3-one
CID 15599410

Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one (CID 19365539) is 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one is Cn1c(C(F)(F)F)cnc(-c2ccc3c(c2)NC(=O)CO3)c1=O.
What is the InChIKey of 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is LZFQZRHJIFYGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c1-20-10(14(15,16)17)5-18-12(13(20)22)7-2-3-9-8(4-7)19-11(21)6-23-9/h2-5H,6H2,1H3,(H,19,21).
What are the key properties of 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one?
6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 325.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-3-oxo-5-(trifluoromethyl)pyrazin-2-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 19365539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).