N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide

C18H15FN4O2 — CID 53048288

IUPACN-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)n1ncc(-c2ccccc2)nc1=O
InChIInChI=1S/C18H15FN4O2/c1-12(17(24)21-15-9-7-14(19)8-10-15)23-18(25)22-16(11-20-23)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,24)
InChIKeyFCVLPRLCHUNCLZ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.64
Rot. Bonds4

About N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide

N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide (PubChem CID 53048288) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
PubChem CID53048288
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)n1ncc(-c2ccccc2)nc1=O
InChIInChI=1S/C18H15FN4O2/c1-12(17(24)21-15-9-7-14(19)8-10-15)23-18(25)22-16(11-20-23)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,24)
InChIKeyFCVLPRLCHUNCLZ-UHFFFAOYSA-N
XLogP2.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-phenylpropanamide
CID 50752258
(2S)-N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902730
(2R)-N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902701
(2S)-N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062251
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902673
(2S)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902674
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902675
N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 50752296
(2S)-N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902714
(2R)-N-(4-fluoro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062269
2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 50752386
(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 92902778

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide (CID 53048288) is N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide is CC(C(=O)Nc1ccc(F)cc1)n1ncc(-c2ccccc2)nc1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
The InChIKey is FCVLPRLCHUNCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-12(17(24)21-15-9-7-14(19)8-10-15)23-18(25)22-16(11-20-23)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide?
N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide has a molecular weight of 338.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide is sourced from PubChem (CID 53048288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).