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

C12H11F3N4O — CID 21387750

IUPAC4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
SMILESCCc1nnc(-c2cccc(C(F)(F)F)c2)c(=O)n1N
InChIInChI=1S/C12H11F3N4O/c1-2-9-17-18-10(11(20)19(9)16)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2,16H2,1H3
InChIKeyLQLCXEKPWFNLNZ-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.60
Rot. Bonds2

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

4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one (PubChem CID 21387750) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
PubChem CID21387750
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
SMILESCCc1nnc(-c2cccc(C(F)(F)F)c2)c(=O)n1N
InChIInChI=1S/C12H11F3N4O/c1-2-9-17-18-10(11(20)19(9)16)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2,16H2,1H3
InChIKeyLQLCXEKPWFNLNZ-UHFFFAOYSA-N
XLogP1.60
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Metamitron
CID 38854
Desaminometamitron
CID 135413636
3-(Difluoromethyl)-4-hex-5-enyl-6-(4-methylphenyl)-1,2,4-triazin-5-one
CID 154721218
Bay-79758
CID 12295785
4-Amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
CID 13078493
4-Amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
CID 13458086
4-Amino-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
CID 13458087
4-Hydroxy-3-methyl-6-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
CID 117619169
6-(4-fluorophenyl)-3-methyl-4H-1,2,4-triazin-5-one
CID 135521879
4-(~2~H_2_)Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one
CID 138396176
4-Amino-6-phenyl-1,2,4-triazin-5(4H)-one
CID 12323793
4-amino-3-ethyl-6-phenyl-1,2,4-triazin-5(4H)-one
CID 12323798

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one (CID 21387750) is 4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one is CCc1nnc(-c2cccc(C(F)(F)F)c2)c(=O)n1N.
What is the InChIKey of 4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one?
The InChIKey is LQLCXEKPWFNLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-2-9-17-18-10(11(20)19(9)16)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2,16H2,1H3.
What are the key properties of 4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one?
4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one has a molecular weight of 284.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one is sourced from PubChem (CID 21387750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).