6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one

C11H9F3N4O2 — CID 135561108

IUPAC6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(OC(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C11H9F3N4O2/c1-6-9(19)16-10(18-17-6)15-7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,1H3,(H2,15,16,18,19)
InChIKeyWOHKODHQUGISOP-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.12
Rot. Bonds3

About 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one

6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one (PubChem CID 135561108) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one
PubChem CID135561108
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(OC(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C11H9F3N4O2/c1-6-9(19)16-10(18-17-6)15-7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,1H3,(H2,15,16,18,19)
InChIKeyWOHKODHQUGISOP-UHFFFAOYSA-N
XLogP2.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one
CID 135561109
6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one
CID 135454577
3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135432564
3-(4-butylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135413095
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one
CID 139976239
3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135412294
4-methyl-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-5-carboxylic acid
CID 75176671
3-[2-chloro-5-(trifluoromethyl)anilino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135561118
3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135399287
3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135449637
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43644812

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one (CID 135561108) is 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one is Cc1nnc(Nc2ccc(OC(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one?
The InChIKey is WOHKODHQUGISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-6-9(19)16-10(18-17-6)15-7-2-4-8(5-3-7)20-11(12,13)14/h2-5H,1H3,(H2,15,16,18,19).
What are the key properties of 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one?
6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one has a molecular weight of 286.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135561108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).