6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione

C6H7F3N4O2 — CID 63227129

IUPAC6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)1-2-10-3-4(14)11-5(15)13-12-3/h1-2H2,(H,10,12)(H2,11,13,14,15)
InChIKeyGHQGQMSLHWESEU-UHFFFAOYSA-N
MW224.14 g/mol
LogP-0.18
Rot. Bonds3

About 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione

6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 63227129) has the molecular formula C6H7F3N4O2 and a molecular weight of 224.14 g/mol. Its IUPAC name is 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID63227129
Molecular FormulaC6H7F3N4O2
Molecular Weight224.14 g/mol
Exact Mass224.05
IUPAC Name6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)1-2-10-3-4(14)11-5(15)13-12-3/h1-2H2,(H,10,12)(H2,11,13,14,15)
InChIKeyGHQGQMSLHWESEU-UHFFFAOYSA-N
XLogP-0.18
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione (CID 63227129) is 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCCC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GHQGQMSLHWESEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2/c7-6(8,9)1-2-10-3-4(14)11-5(15)13-12-3/h1-2H2,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione?
6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 224.14 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,3-trifluoropropylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63227129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).