6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C15H20FN5O2 — CID 118928162

IUPAC6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)C(CNc1nn(C)c(=O)n(C)c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FN5O2/c1-19(2)12(10-5-7-11(16)8-6-10)9-17-13-14(22)20(3)15(23)21(4)18-13/h5-8,12H,9H2,1-4H3,(H,17,18)
InChIKeySOWWBSFBUDYICN-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.33
Rot. Bonds5

About 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 118928162) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID118928162
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)C(CNc1nn(C)c(=O)n(C)c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FN5O2/c1-19(2)12(10-5-7-11(16)8-6-10)9-17-13-14(22)20(3)15(23)21(4)18-13/h5-8,12H,9H2,1-4H3,(H,17,18)
InChIKeySOWWBSFBUDYICN-UHFFFAOYSA-N
XLogP0.33
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 118928162) is 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(C)C(CNc1nn(C)c(=O)n(C)c1=O)c1ccc(F)cc1.
What is the InChIKey of 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is SOWWBSFBUDYICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-19(2)12(10-5-7-11(16)8-6-10)9-17-13-14(22)20(3)15(23)21(4)18-13/h5-8,12H,9H2,1-4H3,(H,17,18).
What are the key properties of 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 321.36 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 118928162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).