N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide

C17H19FN4O2 — CID 135872446

IUPACN-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2cccc(F)c2)[nH]c1=O)NC1CCCC1
InChIInChI=1S/C17H19FN4O2/c18-12-5-3-4-11(10-12)16-20-17(24)14(21-22-16)8-9-15(23)19-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,19,23)(H,20,22,24)
InChIKeySVSUGAVPSAIWRH-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.96
Rot. Bonds5

About N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide

N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 135872446) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID135872446
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2cccc(F)c2)[nH]c1=O)NC1CCCC1
InChIInChI=1S/C17H19FN4O2/c18-12-5-3-4-11(10-12)16-20-17(24)14(21-22-16)8-9-15(23)19-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,19,23)(H,20,22,24)
InChIKeySVSUGAVPSAIWRH-UHFFFAOYSA-N
XLogP1.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135859485
3-(3-Fluorophenyl)-6-[3-oxo-3-(piperidin-1-YL)propyl]-2,5-dihydro-1,2,4-triazin-5-one
CID 135859637
N-cyclohexyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
CID 135868765
N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135868900
3-(3-Fluorophenyl)-6-[3-(4-methylpiperidin-1-YL)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one
CID 135868930
6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(3-fluorophenyl)-4H-1,2,4-triazin-5-one
CID 135868932
3-(3-methylphenyl)-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135868951
6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one
CID 135872208
6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one
CID 135872209
N-methyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
CID 135872214
N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872238
N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872247

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (CID 135872446) is N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is O=C(CCc1nnc(-c2cccc(F)c2)[nH]c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is SVSUGAVPSAIWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-12-5-3-4-11(10-12)16-20-17(24)14(21-22-16)8-9-15(23)19-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,19,23)(H,20,22,24).
What are the key properties of N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 330.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 135872446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).