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

C6H4F3N3O3 — CID 51063156

IUPAC6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
SMILESCc1nn(C(=O)C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C6H4F3N3O3/c1-2-3(13)10-5(15)12(11-2)4(14)6(7,8)9/h1H3,(H,10,13,15)
InChIKeyJZSADBXFMCGZTL-UHFFFAOYSA-N
MW223.11 g/mol
LogP-0.56
Rot. Bonds

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

6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione (PubChem CID 51063156) has the molecular formula C6H4F3N3O3 and a molecular weight of 223.11 g/mol. Its IUPAC name is 6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
PubChem CID51063156
Molecular FormulaC6H4F3N3O3
Molecular Weight223.11 g/mol
Exact Mass223.02
IUPAC Name6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
SMILESCc1nn(C(=O)C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C6H4F3N3O3/c1-2-3(13)10-5(15)12(11-2)4(14)6(7,8)9/h1H3,(H,10,13,15)
InChIKeyJZSADBXFMCGZTL-UHFFFAOYSA-N
XLogP-0.56
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Fluoromethyl)-1,2,4-triazine-3,5(2h,4h)-dione
CID 263427
2-Methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 155363463
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
6-(difluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione
CID 157490353
2-Tert-butyl-6-(difluoromethyl)-1,2,4-triazine-3,5-dione
CID 178474593
2-Tert-butyl-6-(fluoromethyl)-1,2,4-triazine-3,5-dione
CID 178474674
2-Acetyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 21814366
2-Acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
CID 162576886
2-acetyl-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 44725398
2-Tert-butyl-6-methyl-1,2,4-triazine-3,5-dione
CID 58821051
2-Iodo-6-methyl-1,2,4-triazine-3,5-dione
CID 148194046

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione (CID 51063156) is 6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione is Cc1nn(C(=O)C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione?
The InChIKey is JZSADBXFMCGZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O3/c1-2-3(13)10-5(15)12(11-2)4(14)6(7,8)9/h1H3,(H,10,13,15).
What are the key properties of 6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione?
6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione has a molecular weight of 223.11 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 51063156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).