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

C16H20FN5O2 — CID 135634761

IUPAC6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCCCN2CCOCC2)nnc1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN5O2/c17-13-4-2-12(3-5-13)14-15(23)19-16(21-20-14)18-6-1-7-22-8-10-24-11-9-22/h2-5H,1,6-11H2,(H2,18,19,21,23)
InChIKeyKHWVCKMVEUSJAQ-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.11
Rot. Bonds6

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

6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135634761) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one
PubChem CID135634761
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCCCN2CCOCC2)nnc1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN5O2/c17-13-4-2-12(3-5-13)14-15(23)19-16(21-20-14)18-6-1-7-22-8-10-24-11-9-22/h2-5H,1,6-11H2,(H2,18,19,21,23)
InChIKeyKHWVCKMVEUSJAQ-UHFFFAOYSA-N
XLogP1.11
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779611
3-(3-morpholin-4-ylpropylamino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779677
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 71700774
3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922527
4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 133370524
2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
CID 135434900
2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)-1,3-oxazol-5-amine
CID 18824775
(5S)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28855236
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878776
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
5-fluoro-2-(3-morpholin-4-ylpropylamino)benzenecarbothioamide
CID 63674197

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one (CID 135634761) is 6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one is O=c1[nH]c(NCCCN2CCOCC2)nnc1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is KHWVCKMVEUSJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c17-13-4-2-12(3-5-13)14-15(23)19-16(21-20-14)18-6-1-7-22-8-10-24-11-9-22/h2-5H,1,6-11H2,(H2,18,19,21,23).
What are the key properties of 6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one?
6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 333.37 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135634761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).