3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one

C16H17FN4O3 — CID 135872241

IUPAC3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one
SMILESO=C(CCc1nnc(-c2ccccc2F)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H17FN4O3/c17-12-4-2-1-3-11(12)15-18-16(23)13(19-20-15)5-6-14(22)21-7-9-24-10-8-21/h1-4H,5-10H2,(H,18,20,23)
InChIKeyZKQHKGZGFOKELK-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.76
Rot. Bonds4

About 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one

3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one (PubChem CID 135872241) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one
PubChem CID135872241
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one
SMILESO=C(CCc1nnc(-c2ccccc2F)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H17FN4O3/c17-12-4-2-1-3-11(12)15-18-16(23)13(19-20-15)5-6-14(22)21-7-9-24-10-8-21/h1-4H,5-10H2,(H,18,20,23)
InChIKeyZKQHKGZGFOKELK-UHFFFAOYSA-N
XLogP0.76
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(4-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one
CID 135859064
6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one
CID 135872225
3-(3-chloro-4-fluorophenyl)-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 156601811
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one
CID 135868669
6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one
CID 135872230
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-(4-but-3-enoxyphenyl)-6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4H-1,2,4-triazin-5-one
CID 135868389
6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-(3-propoxyphenyl)-4H-1,2,4-triazin-5-one
CID 135868503
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
6-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one
CID 135859579
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333834
1-morpholin-4-yl-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 51088025

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one (CID 135872241) is 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one is O=C(CCc1nnc(-c2ccccc2F)[nH]c1=O)N1CCOCC1.
What is the InChIKey of 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one?
The InChIKey is ZKQHKGZGFOKELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-12-4-2-1-3-11(12)15-18-16(23)13(19-20-15)5-6-14(22)21-7-9-24-10-8-21/h1-4H,5-10H2,(H,18,20,23).
What are the key properties of 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one?
3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one has a molecular weight of 332.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-(3-morpholin-4-yl-3-oxopropyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135872241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).