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

C10H15F3N4O2 — CID 115486540

IUPAC2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCCCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H15F3N4O2/c1-16-8(18)7(15-17(2)9(16)19)14-6-4-3-5-10(11,12)13/h3-6H2,1-2H3,(H,14,15)
InChIKeyXQXVEBJNTUVRLH-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.62
Rot. Bonds5

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

2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione (PubChem CID 115486540) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione
PubChem CID115486540
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCCCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H15F3N4O2/c1-16-8(18)7(15-17(2)9(16)19)14-6-4-3-5-10(11,12)13/h3-6H2,1-2H3,(H,14,15)
InChIKeyXQXVEBJNTUVRLH-UHFFFAOYSA-N
XLogP0.62
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione (CID 115486540) is 2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione is Cn1nc(NCCCCC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is XQXVEBJNTUVRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-16-8(18)7(15-17(2)9(16)19)14-6-4-3-5-10(11,12)13/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 280.25 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(5,5,5-trifluoropentylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115486540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).