5-(trifluoromethyl)-1H-1,2,4-triazin-6-one

C4H2F3N3O — CID 167201583

IUPAC5-(trifluoromethyl)-1H-1,2,4-triazin-6-one
SMILESO=c1[nH]ncnc1C(F)(F)F
InChIInChI=1S/C4H2F3N3O/c5-4(6,7)2-3(11)10-9-1-8-2/h1H,(H,10,11)
InChIKeyFMTLMRIEHAEJPT-UHFFFAOYSA-N
MW165.07 g/mol
LogP0.18
Rot. Bonds

About 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one

5-(trifluoromethyl)-1H-1,2,4-triazin-6-one (PubChem CID 167201583) has the molecular formula C4H2F3N3O and a molecular weight of 165.07 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-1,2,4-triazin-6-one
PubChem CID167201583
Molecular FormulaC4H2F3N3O
Molecular Weight165.07 g/mol
Exact Mass165.01
IUPAC Name5-(trifluoromethyl)-1H-1,2,4-triazin-6-one
SMILESO=c1[nH]ncnc1C(F)(F)F
InChIInChI=1S/C4H2F3N3O/c5-4(6,7)2-3(11)10-9-1-8-2/h1H,(H,10,11)
InChIKeyFMTLMRIEHAEJPT-UHFFFAOYSA-N
XLogP0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.07
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-methyl-5-(trifluoromethyl)-1H-pyrazin-2-one
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5-acetyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
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5-[4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one?
The IUPAC name of 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one (CID 167201583) is 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one?
The canonical SMILES for 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one is O=c1[nH]ncnc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one?
The InChIKey is FMTLMRIEHAEJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3O/c5-4(6,7)2-3(11)10-9-1-8-2/h1H,(H,10,11).
What are the key properties of 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one?
5-(trifluoromethyl)-1H-1,2,4-triazin-6-one has a molecular weight of 165.07 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 167201583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).