2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid

C15H16FN3O3 — CID 143242596

IUPAC2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid
SMILESCCc1nn(CC(=O)O)c(CCc2cccc(F)c2)nc1=O
InChIInChI=1S/C15H16FN3O3/c1-2-12-15(22)17-13(19(18-12)9-14(20)21)7-6-10-4-3-5-11(16)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,20,21)
InChIKeyFKPHLRDVVHLZGX-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.21
Rot. Bonds6

About 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid

2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid (PubChem CID 143242596) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid
PubChem CID143242596
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid
SMILESCCc1nn(CC(=O)O)c(CCc2cccc(F)c2)nc1=O
InChIInChI=1S/C15H16FN3O3/c1-2-12-15(22)17-13(19(18-12)9-14(20)21)7-6-10-4-3-5-11(16)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,20,21)
InChIKeyFKPHLRDVVHLZGX-UHFFFAOYSA-N
XLogP1.21
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]acetic acid
CID 66040764
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3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
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2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid
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2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine
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2-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62824164
N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 43401960
N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838611
5-ethyl-2-[(3-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63613280
4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine
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CID 64521140

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid?
The IUPAC name of 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid (CID 143242596) is 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid?
The canonical SMILES for 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid is CCc1nn(CC(=O)O)c(CCc2cccc(F)c2)nc1=O.
What is the InChIKey of 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid?
The InChIKey is FKPHLRDVVHLZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-2-12-15(22)17-13(19(18-12)9-14(20)21)7-6-10-4-3-5-11(16)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,20,21).
What are the key properties of 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid?
2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid has a molecular weight of 305.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-3-[2-(3-fluorophenyl)ethyl]-5-oxo-1,2,4-triazin-2-yl]acetic acid is sourced from PubChem (CID 143242596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).