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

C15H15FN4O2 — CID 135872247

IUPACN-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccc(F)cc2)[nH]c1=O)NC1CC1
InChIInChI=1S/C15H15FN4O2/c16-10-3-1-9(2-4-10)14-18-15(22)12(19-20-14)7-8-13(21)17-11-5-6-11/h1-4,11H,5-8H2,(H,17,21)(H,18,20,22)
InChIKeyMRROSIMDLIHGQW-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.18
Rot. Bonds5

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

N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 135872247) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID135872247
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC NameN-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccc(F)cc2)[nH]c1=O)NC1CC1
InChIInChI=1S/C15H15FN4O2/c16-10-3-1-9(2-4-10)14-18-15(22)12(19-20-14)7-8-13(21)17-11-5-6-11/h1-4,11H,5-8H2,(H,17,21)(H,18,20,22)
InChIKeyMRROSIMDLIHGQW-UHFFFAOYSA-N
XLogP1.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24545501
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
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
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-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
CID 135872323
3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-prop-2-ynylpropanamide
CID 135872326

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide (CID 135872247) is N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is O=C(CCc1nnc(-c2ccc(F)cc2)[nH]c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is MRROSIMDLIHGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-10-3-1-9(2-4-10)14-18-15(22)12(19-20-14)7-8-13(21)17-11-5-6-11/h1-4,11H,5-8H2,(H,17,21)(H,18,20,22).
What are the key properties of N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide?
N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 302.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 135872247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).