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

C18H21FN4O2 — CID 135872238

IUPACN-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccccc2F)[nH]c1=O)NC1CCCCC1
InChIInChI=1S/C18H21FN4O2/c19-14-9-5-4-8-13(14)17-21-18(25)15(22-23-17)10-11-16(24)20-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,24)(H,21,23,25)
InChIKeyQIVUOAKRMSVDFR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.35
Rot. Bonds5

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

N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 135872238) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID135872238
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccccc2F)[nH]c1=O)NC1CCCCC1
InChIInChI=1S/C18H21FN4O2/c19-14-9-5-4-8-13(14)17-21-18(25)15(22-23-17)10-11-16(24)20-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,24)(H,21,23,25)
InChIKeyQIVUOAKRMSVDFR-UHFFFAOYSA-N
XLogP2.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.35
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-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872247
6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4H-1,2,4-triazin-5-one
CID 135872248

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (CID 135872238) is N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is O=C(CCc1nnc(-c2ccccc2F)[nH]c1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is QIVUOAKRMSVDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-9-5-4-8-13(14)17-21-18(25)15(22-23-17)10-11-16(24)20-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,24)(H,21,23,25).
What are the key properties of N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 344.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 135872238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).