3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one

C10H8F3N3O — CID 13365874

IUPAC3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(c2cccc(C(F)(F)F)c2)NN1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(17)15-16-9/h1-4H,5H2,(H,14,16)(H,15,17)
InChIKeyOFZBLHOONKPDGB-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.09
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one

3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 13365874) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID13365874
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(c2cccc(C(F)(F)F)c2)NN1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(17)15-16-9/h1-4H,5H2,(H,14,16)(H,15,17)
InChIKeyOFZBLHOONKPDGB-UHFFFAOYSA-N
XLogP1.09
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 13365866
3-[4-(2-methylprop-1-enyl)-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 154663958
3-[4-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 154663952
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 68959507
4-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazole
CID 57077686
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one
CID 156769369
3-(3-chloro-4-methoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187680
3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 13365874) is 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one is O=C1CN=C(c2cccc(C(F)(F)F)c2)NN1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is OFZBLHOONKPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(17)15-16-9/h1-4H,5H2,(H,14,16)(H,15,17).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one?
3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 243.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 13365874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).