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

C18H19F3N4O2 — CID 156601809

IUPACN-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O)NC1CCCC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)12-5-3-4-11(10-12)16-23-17(27)14(24-25-16)8-9-15(26)22-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,22,26)(H,23,25,27)
InChIKeyHUVUKVNWIOQRBQ-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.84
Rot. Bonds5

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

N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 156601809) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID156601809
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O)NC1CCCC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)12-5-3-4-11(10-12)16-23-17(27)14(24-25-16)8-9-15(26)22-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,22,26)(H,23,25,27)
InChIKeyHUVUKVNWIOQRBQ-UHFFFAOYSA-N
XLogP2.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.84
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
6-(3-oxo-3-piperidin-1-ylpropyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazin-5-one
CID 135868910
6-[3-(4-Methylpiperidin-1-YL)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-5-one
CID 135868914
3-(3-Fluorophenyl)-6-[3-(4-methylpiperidin-1-YL)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one
CID 135868930
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide (CID 156601809) is N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide is O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is HUVUKVNWIOQRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)12-5-3-4-11(10-12)16-23-17(27)14(24-25-16)8-9-15(26)22-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,22,26)(H,23,25,27).
What are the key properties of N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide?
N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 380.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 156601809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).