6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C7H10F2N4O2 — CID 79099376

IUPAC6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C7H10F2N4O2/c1-12-6(14)5(10-3-4(8)9)11-13(2)7(12)15/h4H,3H2,1-2H3,(H,10,11)
InChIKeyGHRFEZYURMJSJQ-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.84
Rot. Bonds3

About 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 79099376) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID79099376
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC Name6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C7H10F2N4O2/c1-12-6(14)5(10-3-4(8)9)11-13(2)7(12)15/h4H,3H2,1-2H3,(H,10,11)
InChIKeyGHRFEZYURMJSJQ-UHFFFAOYSA-N
XLogP-0.84
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 79099376) is 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is GHRFEZYURMJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c1-12-6(14)5(10-3-4(8)9)11-13(2)7(12)15/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 220.18 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 79099376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).