2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione

C5H4F3N3O2 — CID 155363463

IUPAC2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
SMILESCn1nc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C5H4F3N3O2/c1-11-4(13)9-3(12)2(10-11)5(6,7)8/h1H3,(H,9,12,13)
InChIKeyVPUWMUGOYVWQKG-UHFFFAOYSA-N
MW195.10 g/mol
LogP-0.51
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione

2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione (PubChem CID 155363463) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
PubChem CID155363463
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
SMILESCn1nc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C5H4F3N3O2/c1-11-4(13)9-3(12)2(10-11)5(6,7)8/h1H3,(H,9,12,13)
InChIKeyVPUWMUGOYVWQKG-UHFFFAOYSA-N
XLogP-0.51
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 244943
2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
CID 244941
2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
CID 244524
6-Methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
CID 51063156
6-Fluoro-2-methyl-1,2,4-triazine-3,5-dione
CID 58226946
2-Acetyl-4-(fluoromethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 141878296
6-(Difluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione
CID 155363464
6-(Fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione
CID 155363548
2-Acetyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 21814366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione (CID 155363463) is 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione is Cn1nc(C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is VPUWMUGOYVWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c1-11-4(13)9-3(12)2(10-11)5(6,7)8/h1H3,(H,9,12,13).
What are the key properties of 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione?
2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 195.10 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155363463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).